SCHEMBL169417

SCHEMBL169417

CN(C)[CH]c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RELA Q04206 1/20 0.46
ALDH1A1 P00352 4/20 0.41
TSHR P16473 3/20 0.41
MAOB P27338 1/20 0.41
CYP2A6 P11509 1/20 0.41
GRM5 P41594 1/20 0.40
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CHAT P28329 2/20 0.37
RECQL P46063 1/20 0.37
KCNN4 O15554 1/20 0.36
FBP1 P09467 1/20 0.36
AKR1C3 P42330 1/20 0.36
TRPA1 O75762 1/20 0.36
GLA P06280 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL3269032 0.82 RELA (0.46) RELAALDH1A1TSHRMAOBCYP2A6
SCHEMBL5136337 0.74 L3MBTL1 (0.41) RELAALDH1A1TSHRMAOBCYP2A6
SCHEMBL7220051 0.74 ALDH1A1 (0.46) RELAALDH1A1TSHRMAOBCYP2A6
Trimethylammonium SCHEMBL27686011 0.73 RELA (0.48) RELAALDH1A1TSHRMAOBCYP2A6
(Z)-1,2-Diphenylethene SCHEMBL27459562 0.73 RELA (0.68) RELAALDH1A1MAOBGRM5CHAT
SCHEMBL9248249 0.72 AKR1C3 (0.43) RELAALDH1A1TSHRCYP2A6LMNA
SCHEMBL81307 0.72 RELA (0.54) RELAALDH1A1MAOBGRM5LMNA
SCHEMBL6218827 0.72 MAPT (0.50) ALDH1A1LMNAL3MBTL1
SCHEMBL4698865 0.72 RELA (0.43) RELAALDH1A1TSHRMAOBCYP2A6
SCHEMBL8906413 0.72 HSD17B10 (0.46) ALDH1A1MAOBCYP2A6LMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114716386-A Novel exosome inhibitor and preparation method thereof 北京和理咨询有限公司 2022-07-08 CN claimed
CN-113874375-A Cyclic amide compounds and methods thereof for the treatment of rabies 株式会社大分大学先端医学研究所 2021-12-31 CN claimed
WO-2020246503-A1 CYCLIC AMIDE COMPOUNDS FOR RABIES TREATMENT AND METHOD THEREOF 株式会社大分大学先端医学研究所 2020-12-10 WO claimed
CN-110483531-A A kind of water-soluble porphyrin ene derivative, preparation method, anti-tumor drug and application LI DEFANG 2019-11-22 CN claimed
EP-3196193-B1 METHOD FOR PRODUCING OPTICALLY ACTIVE VALERIC ACID DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2018-12-19 EP claimed
CN-105326809-B One kind containing CaCO3The preparation method of the composite natral high molecule microcapsule of particle 武汉理工大学 2018-08-07 CN claimed
US-9938242-B2 Methods for producing optically active valeric acid derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2018-04-10 US claimed
CN-107847607-A Aptamer conjugate of paclitaxel or derivative thereof, and preparation method and application thereof 北京和理咨询有限公司 2018-03-27 CN claimed
US-9809822-B2 Triptolide derivatives and preparation method and use thereof HONG KONG BAPTIST UNIVERSITY (HK) 2017-11-07 US claimed
US-20170291878-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE VALERIC ACID DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-10-12 US claimed
WO-1996008497-A1 METAL (III) COMPLEXES CONTAINING, NON-AROMATIC, ANIONIC, DIENYL GROUPS AND ADDITION POLYMERIZATION CATALYSTS THEREFROM THE DOW CHEMICAL COMPANY (US) 1996-03-21 WO claimed
EP-0656075-A1 ELECTROCHEMICAL PREPARATION OF ADDITION POLYMERIZATION CATALYSTS THE DOW CHEMICAL COMPANY (US) 1995-06-07 EP claimed
US-5322844-A Cardiovascular disorders, antiinflammatory agents, antiallergens GODECKE AKTIENGESELLSCHAFT (DE) 1994-06-21 US claimed
US-5185352-A Treating or preventing cardiovascular disorders GOEDECKE AKTIENGESELLSCHAFT (DE) 1993-02-09 US claimed
EP-0427765-A1 ALKOXY-4(1H)-PYRIDONE DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USE AS DRUGS GÖDECKE AKTIENGESELLSCHAFT (DE) 1991-05-22 EP claimed
US-4976889-A 4-formylaminopiperidine derivatives, their use as stabilizers and organic material stabilized with the said derivatives BASF AKTIENGESELLSCHAFT (DE) 1990-12-11 US claimed
CN-1040193-A The preparation of alkoxyl group-4 (1H)-Pyridione derivatives GOEDECKE AG (DE) 1990-03-07 CN claimed
WO-1990001477-A1 ALKOXY-4(1H)-PYRIDONE DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USE AS DRUGS Gödecke Aktiengesellschaft (DE) 1990-02-22 WO claimed
EP-0354495-A1 Alkoxy-4(1H)-pyridone derivatives, process for their preparation and their pharmaceutical use GÖDECKE AKTIENGESELLSCHAFT (DE) 1990-02-14 EP claimed
US-3993643-A ANTISCHISTOSOMAL STANFORD RESEARCH INSTITUTE (US) 1976-11-23 US claimed

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

For each of this compound's patents that has machine-readable text (1 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-20170291878-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE VALERIC ACID DERIVATIVE ALAD, GRHPR, ME1 RELA 894/4885ALDH1A1 1178/4885TSHR 3970/4885

“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.