SCHEMBL194114

SCHEMBL194114

COc1ccc2c[c]ccc2n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PDE10A Q9Y233 3/20 0.33
KDM4E B2RXH2 2/20 0.33
CYP1A2 P05177 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
NNMT P40261 1/20 0.33
KMT2A Q03164 1/20 0.33
CLK1 P49759 1/20 0.32
NQO1 P15559 1/20 0.32
PDE2A O00408 1/20 0.31
PDE5A O76074 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4D Q08499 1/20 0.31
PDE7A Q13946 1/20 0.31

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
SCHEMBL6714918 0.85 MTNR1A (0.37) MTNR1AMTNR1BPOLBTDP1PDE10A
SCHEMBL3316531 0.81 ALDH1A1 (0.40) KDM4EALDH1A1HPGDKMT2A
SCHEMBL27243819 0.80 SRC (0.34) ALDH1A1KMT2ANQO1
SCHEMBL3314352 0.80 SMN1; SMN2 (0.42) POLBKDM4EALDH1A1HPGDKMT2A
SCHEMBL295035 0.75 CYP1A2 (0.54) POLBKDM4ECYP1A2
SCHEMBL4655065 0.75 HTT (0.45) TDP1KDM4ECYP1A2ALDH1A1HPGD
SCHEMBL28617539 0.74 HTT (0.42) KDM4ECYP1A2ALDH1A1HPGDKMT2A
SCHEMBL13583086 0.73 MEN1 (0.34) ALDH1A1HPGDKMT2A
SCHEMBL3317518 0.73 HTT (0.45) KDM4EALDH1A1HPGDKMT2A
SCHEMBL3312917 0.72 KDM4E (0.33) KDM4ECYP1A2ALDH1A1

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 236 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3625223-B1 PYRIMIDINE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2021-08-11 EP claimed
CN-110563713-A 4-phenyl substituted isoxazole compound and application thereof in antihistamine medicine 王兴理 2019-12-13 CN claimed
US-8652752-B2 Sulphonium salt initiators BASF SE (DE) 2014-02-18 US claimed
EP-2197840-B1 SULPHONIUM SALT INITIATORS BASF SE (DE) 2013-11-06 EP claimed
US-7902369-B2 Diaryl-substituted five-membered heterocycle derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-03-08 US claimed
US-20100297540-A1 SULPHONIUM SALT INITIATORS BASF SE (DE) 2010-11-25 US claimed
EP-2197869-A1 SULPHONIUM SALT INITIATORS BASF SE (DE) 2010-06-23 EP claimed
WO-2009047105-A1 SULPHONIUM SALT INITIATORS BASF SE (CH) 2009-04-16 WO claimed
EP-1501801-B1 2,6-QUINOLINYL AND 2,6-NAPHTHYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF VLA-4 DEPENDENT DISEASES UCB PHARMA SA (BE) 2008-01-23 EP claimed
US-20240199604-A1 SUPRAMOLECULAR POLYMER THERAPEUTICS AND DIAGNOSTICS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-06-20 US disclosed
US-20240201205-A1 METHOD FOR DETECTING NEUROLOGICAL DISEASES USING SUPRAMOLECULE POLYMER THERAPEUTICS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-06-20 US disclosed
US-20240197682-A1 METHOD FOR TREATING NEUROLOGICAL DISEASES USING SUPRAMOLECULE POLYMER THERAPEUTICS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-06-20 US disclosed
CN-115504896-B Acrylic formate compound for LED photopolymerization, preparation method and application thereof 湖北固润科技股份有限公司 2024-05-07 CN disclosed
WO-2024078413-A1 ACRYLOYL FORMATE COMPOUND FOR LED PHOTOPOLYMERIZATION, AND PREPARATION METHOD THEREFOR AND USE THEREOF 湖北固润科技股份有限公司 2024-04-18 WO disclosed
EP-0857765-A2 Stabilizing agents for powder paints Ciba SC Holding AG (CH) 1998-08-12 EP disclosed
WO-1998032756-A1 SUBSTITUTED AMINOALKYLIDENAMINO TRIAZINES AS HERBICIDES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 1998-07-30 WO disclosed
US-5773631-A PROTECTION OF POLYMERS AND LUBRICANTS AGAINST THERMAL, OXIDATIVE OR LIGHT INDUCED DEGRDATION CIBA SPECIALTY CHEMICALS CORPORATION (US) 1998-06-30 US disclosed
EP-0842975-A1 Stabilising polyolefins for long term contact with an extracting medium Ciba SC Holding AG (CH) 1998-05-20 EP disclosed
EP-0839623-A1 Stabiliser combination for rotomolding process Ciba SC Holding AG (CH) 1998-05-06 EP disclosed
US-5516920-A POLYMER STABILIZERS CIBA-GEIGY CORPORATION (US) 1996-05-14 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 (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-20240199604-A1 SUPRAMOLECULAR POLYMER THERAPEUTICS AND DIAGNOSTICS MAPT, HTT, PSEN1 MTNR1A 4024/4885MTNR1B 4394/4885POLB 643/4885
US-20100297540-A1 SULPHONIUM SALT INITIATORS SULT1A1, SULT2A1, NCOA1 MTNR1A 675/4885MTNR1B 1343/4885POLB 3118/4885
US-20240197682-A1 METHOD FOR TREATING NEUROLOGICAL DISEASES USING SUPRAMOLECULE POLYMER THERAPEUTICS PRNP, PSEN1, SNCA MTNR1A 2901/4885MTNR1B 2988/4885POLB 2131/4885

“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.