SCHEMBL9579531

SCHEMBL9579531

O=C1OC(=O)[C@H]2C3C=CC(C3)C12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.48
▸ TDP1 Q9NUW8 2/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ LMNA P02545 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ GMNN O75496 1/20 0.42
▸ PPM1B O75688 1/20 0.42
▸ PPP1CC P36873 1/20 0.42
▸ TFPI2 P48307 1/20 0.42
▸ PPP5C P53041 1/20 0.42
▸ PPP1CA P62136 1/20 0.42
▸ PMP22 Q01453 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ THPO P40225 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ HTT P42858 2/20 0.41

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
SCHEMBL533614 1.00 ALDH1A1 (0.48) ALDH1A1TDP1SMN1; SMN2RAB9ALMNA
SCHEMBL27496 1.00 ALDH1A1 (0.48) ALDH1A1TDP1SMN1; SMN2RAB9ALMNA
SCHEMBL3130301 1.00 ALDH1A1 (0.48) ALDH1A1TDP1SMN1; SMN2RAB9ALMNA
SCHEMBL13216620 1.00 ALDH1A1 (0.48) ALDH1A1TDP1SMN1; SMN2RAB9ALMNA
SCHEMBL196877 1.00 ALDH1A1 (0.48) ALDH1A1TDP1SMN1; SMN2RAB9ALMNA
SCHEMBL12268145 1.00 ALDH1A1 (0.48) ALDH1A1TDP1SMN1; SMN2RAB9ALMNA
SCHEMBL13197282 1.00 ALDH1A1 (0.48) ALDH1A1TDP1SMN1; SMN2RAB9ALMNA
SCHEMBL16704819 1.00 ALDH1A1 (0.48) ALDH1A1TDP1SMN1; SMN2RAB9ALMNA
SCHEMBL13397502 1.00 ALDH1A1 (0.48) ALDH1A1TDP1SMN1; SMN2RAB9ALMNA
SCHEMBL12549702 1.00 ALDH1A1 (0.48) ALDH1A1TDP1SMN1; SMN2RAB9ALMNA

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10336781-B2 Recyclable metathesis catalysts THE TRUSTEES OF BOSTON COLLEGE (US) 2019-07-02 — — US disclosed
EP-3475267-A1 PRODUCTION OF SULFONYL AZIDE ANHYDRIDE Dow Global Technologies, LLC (US) 2019-05-01 — — EP disclosed
WO-2017223164-A1 PRODUCTION OF SULFONYL AZIDE ANHYDRIDE DOW GLOBAL TECHNOLOGIES LLC (US) 2017-12-28 — — WO disclosed
US-20170253614-A1 HEPATITIS C VIRUS INHIBITORS AND USES THEREOF IN PREPARATION OF DRUGS CHANGZHOU YINSHENG PHARMACEUTICAL CO., LTD. (CN) 2017-09-07 — — US disclosed
US-9676676-B2 Selective olefin metathesis with cyclometalated ruthenium complexes CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2017-06-13 — — US disclosed
US-9676676-B2 Selective olefin metathesis with cyclometalated ruthenium complexes CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2017-06-13 — — US disclosed
US-20160185684-A1 SELECTIVE OLEFIN METATHESIS WITH CYCLOMETALATED RUTHENIUM COMPLEXES CALIFORNIA INSTITUTE OF TECHNOLOGY 2016-06-30 — — US disclosed
WO-2016020526-A1 INDOLES FOR USE IN INFLUENZA VIRUS INFECTION JANSSEN SCIENCES IRELAND UC (IE) 2016-02-11 — — WO disclosed
EP-2785763-A1 FUNCTIONALIZATION OF VINYL TERMINATED POLYMERS BY RING OPENING CROSS METATHESIS ExxonMobil Chemical Patents Inc. (US) 2014-10-08 — — EP disclosed
WO-2013081726-A1 FUNCTIONALIZATION OF VINYL TERMINATED POLYMERS BY RING OPENING CROSS METATHESIS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2013-06-06 — — WO disclosed
US-8110679-B2 Nanofilm and membrane compositions COVALENT PARTNERS LLC (US) 2012-02-07 — — US disclosed
US-20090114596-A1 NANOFILM AND MEMBRANE COMPOSITIONS COVALENT PARTNERS LLC 2009-05-07 — — US disclosed
WO-1993000395-A1 ADDITIVES WHICH STABILIZE HYDROHALOCARBON BLOWING AGENT IN POLYURETHANE AND POLYISOCYANURATE FOAM FORMULATIONS DURING POLYMERIZATION ALLIED-SIGNAL INC. (US) 1993-01-07 — — WO 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 (3 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-20170253614-A1 HEPATITIS C VIRUS INHIBITORS AND USES THEREOF IN PREPARATION OF DRUGS HAVCR2, HCCS, LIPC ALDH1A1 1148/4885TDP1 4689/4885SMN1; SMN2 4871/4885
US-10336781-B2 Recyclable metathesis catalysts DNMT1, CARM1, ZMYND8 ALDH1A1 2343/4885TDP1 2176/4885SMN1; SMN2 2000/4885
US-20160185684-A1 SELECTIVE OLEFIN METATHESIS WITH CYCLOMETALATED RUTHENIUM COMPLEXES ZDHHC7, COASY, ZDHHC2 ALDH1A1 3001/4885TDP1 4076/4885SMN1; SMN2 4506/4885

“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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