SCHEMBL1754322

SCHEMBL1754322

CC(C)(C)c1ccccc1-n1cccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ ALDH1A1 P00352 5/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ TSHR P16473 1/20 0.43
▸ RBP4 P02753 7/20 0.42
▸ MAPK1 P28482 2/20 0.41
▸ CA2 P00918 1/20 0.39
▸ MAPT P10636 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ PMP22 Q01453 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ BCHE P06276 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21849234 0.78 ALDH1A1 (0.41) GAAALDH1A1TDP1TSHRRBP4
SCHEMBL820508 0.77 CYP3A4 (0.70) GAAALDH1A1TDP1TSHRMAPK1
SCHEMBL28045541 0.75 ALDH1A1 (0.44) GAAKDM4EALDH1A1TDP1TSHR
SCHEMBL2608425 0.75 ALDH1A1 (0.38) GAAKDM4EALDH1A1TDP1TSHR
SCHEMBL19598923 0.75 RXRA (0.35) GAAKDM4EALDH1A1TSHRRBP4
SCHEMBL16188017 0.74 ALDH1A1 (0.45) GAAKDM4EALDH1A1MAPK1CA2
SCHEMBL28045653 0.74 CA2 (0.46) GAAKDM4EALDH1A1TDP1TSHR
SCHEMBL12963296 0.73 RBP4 (0.34) ALDH1A1TDP1TSHRRBP4MAPK1
SCHEMBL26259525 0.71 ALDH1A1 (0.34) GAAKDM4EALDH1A1TDP1TSHR
SCHEMBL26259918 0.71 GRIA1 (0.36) GAAKDM4EALDH1A1MAPTCYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105218711-B A kind of double activated component olefin polymerization catalysis and preparation method 淄博新塑化工有限公司 2017-08-25 — — CN claimed
CN-105218711-A A kind of double activated component olefin polymerization catalysis and preparation method ZIBO XINSU CHEMICAL CO LTD 2016-01-06 — — CN claimed
EP-3344997-B1 OPIOID RECEPTOR MODULATORS AND USE THEREOF UNIV MINNESOTA (US) 2020-11-18 — — EP disclosed
US-9827228-B2 Opioid receptor modulators and use thereof NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2017-11-28 — — US disclosed
CN-105218711-B A kind of double activated component olefin polymerization catalysis and preparation method 淄博新塑化工有限公司 2017-08-25 — — CN disclosed
US-20170056377-A1 OPIOID RECEPTOR MODULATORS AND USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-03-02 — — US disclosed
CN-105218711-A A kind of double activated component olefin polymerization catalysis and preparation method ZIBO XINSU CHEMICAL CO LTD 2016-01-06 — — CN disclosed
US-8158825-B2 Modified malonate derivatives MERCK SHARP & DOHME CORP. (US) 2012-04-17 — — US disclosed
US-20100216784-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds MULLAN MICHAEL J 2010-08-26 — — US disclosed
US-20100216784-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds MULLAN MICHAEL J 2010-08-26 — — US disclosed
US-20100215735-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds MULLAN MICHAEL J 2010-08-26 — — US disclosed
US-20100160327-A1 Modified Malonate Derivatives MERCK SHARP & DOHME LLC 2010-06-24 — — US disclosed
US-7709647-B2 Tetrahydroquinoline cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2010-05-04 — — US disclosed
US-20080312435-A1 Imine Compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-18 — — US disclosed
US-20080200459-A1 TETRAHYDROQUINOLINE CANNABINOID RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2008-08-21 — — US disclosed
US-20080058330-A1 Compounds and Combinations Thereof for Inhibiting Beta-Amyloid Production and Methods of Use Thereof ROSKAMP RESEARCH LLC (US) 2008-03-06 — — US disclosed
US-20080058330-A1 Compounds and Combinations Thereof for Inhibiting Beta-Amyloid Production and Methods of Use Thereof ROSKAMP RESEARCH LLC (US) 2008-03-06 — — US disclosed
US-20070191409-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ROSKAMP RESEARCH LLC 2007-08-16 — — US disclosed
US-20070185130-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ROSKAMP RESEARCH LLC 2007-08-09 — — US disclosed
US-20070037855-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ALZHEIMER'S INSTITUTE OF AMERICA, INC. 2007-02-15 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080312435-A1 Imine Compound CNR1, CNR2, HRH4 GAA 4866/4885KDM4E 3386/4885ALDH1A1 2674/4885
US-20080058330-A1 Compounds and Combinations Thereof for Inhibiting Beta-Amyloid Production and Methods of Use Thereof APP, PSEN1, PSEN2 GAA 489/4885KDM4E 4629/4885ALDH1A1 3749/4885
US-20100160327-A1 Modified Malonate Derivatives ME2, ME3, ME1 GAA 713/4885KDM4E 129/4885ALDH1A1 784/4885
US-20070191409-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 GAA 814/4885KDM4E 4759/4885ALDH1A1 3939/4885
US-20070185130-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 GAA 814/4885KDM4E 4759/4885ALDH1A1 3939/4885
US-20070037855-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 GAA 814/4885KDM4E 4759/4885ALDH1A1 3939/4885
US-20100216784-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds APP, PSEN1, PSEN2 GAA 814/4885KDM4E 4759/4885ALDH1A1 3939/4885
US-20100215735-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds APP, PSEN1, PSEN2 GAA 814/4885KDM4E 4759/4885ALDH1A1 3939/4885
US-20080200459-A1 TETRAHYDROQUINOLINE CANNABINOID RECEPTOR MODULATORS CNR1, CNR2, GPR18 GAA 3880/4885KDM4E 2213/4885ALDH1A1 2247/4885
US-20170056377-A1 OPIOID RECEPTOR MODULATORS AND USE THEREOF OPRM1, OPRK1, OPRL1 GAA 3118/4885KDM4E 3397/4885ALDH1A1 1408/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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