Sugi Predict

Sugi Predict / Compounds / SCHEMBL2963738

SCHEMBL2963738

SCHEMBL2963738

CCN([CH]c1ccccc1)CC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ CYP2A6 P11509 1/20 0.42
▸ RELA Q04206 2/20 0.38
▸ TRPA1 O75762 1/20 0.37
▸ GRM5 P41594 1/20 0.36
▸ TSHR P16473 3/20 0.36
▸ TP53 P04637 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ GLA P06280 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ CHRM2 P08172 1/20 0.34
▸ HTR1A P08908 1/20 0.34
▸ ADRA2A P08913 1/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ DRD1 P21728 1/20 0.34
▸ SLC6A2 P23975 1/20 0.34

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
SCHEMBL815790 0.81 TP53 (0.36) L3MBTL1NPC1ALDH1A1RELAGRM5
SCHEMBL3269377 0.80 L3MBTL1 (0.42) L3MBTL1NPC1ALDH1A1CYP2A6RELA
SCHEMBL5136337 0.78 L3MBTL1 (0.41) L3MBTL1NPC1ALDH1A1CYP2A6RELA
SCHEMBL2962160 0.78 TDP1 (0.43) MEN1KMT2ALMNAOPRM1KCNH2
SCHEMBL11171879 0.76 NPC1 (0.48) L3MBTL1NPC1RELATRPA1GRM5
SCHEMBL136178 0.76 NPC1 (0.48) L3MBTL1NPC1RELATRPA1GRM5
SCHEMBL7059565 0.74 ALDH1A1 (0.47) NPC1ALDH1A1MEN1KMT2ALMNA
SCHEMBL7383502 0.73 G6PC1 (0.50) ALDH1A1TSHRMAOBAOC3
Styrene SCHEMBL27697582 0.73 ALDH1A1 (0.58) L3MBTL1NPC1ALDH1A1CYP2A6RELA
SCHEMBL8088258 0.72 MAOB (0.56) L3MBTL1NPC1ALDH1A1RELATRPA1

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 51 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
US-9809822-B2 Triptolide derivatives and preparation method and use thereof HONG KONG BAPTIST UNIVERSITY (HK) 2017-11-07 — — US claimed
US-20160362691-A1 TRIPTOLIDE DERIVATIVES AND PREPARATION METHOD AND USE THEREOF HONG KONG BAPTIST UNIVERSITY (HK) 2016-12-15 — — US claimed
EP-0837855-A4 METHOD FOR PREPARING N-MONOSUBSTITUTED AND N,N'-DISUBSTITUTED UNSYMMETRICAL CYCLIC UREAS DU PONT MERCK PHARMA (US) 1998-09-02 — — EP claimed
EP-0837855-A1 METHOD FOR PREPARING N-MONOSUBSTITUTED AND N,N'-DISUBSTITUTED UNSYMMETRICAL CYCLIC UREAS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-04-29 — — EP claimed
WO-1996040652-A1 METHOD FOR PREPARING N-MONOSUBSTITUTED AND N,N'-DISUBSTITUTED UNSYMMETRICAL CYCLIC UREAS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-12-19 — — WO claimed
US-5532357-A Method for preparing N-monosubstituted and N,N'-disubstituted unsymmetrical cyclic ureas THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1996-07-02 — — US claimed
CN-116622005-A Polymer prodrug compound and preparation method thereof, and polymer prodrug micelle and preparation method thereof 成都普康生物科技有限公司 2023-08-22 — — CN disclosed
CN-114716386-A Novel exosome inhibitor and preparation method thereof 北京和理咨询有限公司 2022-07-08 — — CN disclosed
CN-107847607-B Aptamer conjugate of paclitaxel or derivative thereof, and preparation method and application thereof 北京盈科瑞创新医药股份有限公司 2020-11-20 — — CN disclosed
CN-110483531-B Water-soluble porphyrin alkene derivative, preparation method, antitumor drug and application 李德芳 2020-08-04 — — CN disclosed
US-9809822-B2 Triptolide derivatives and preparation method and use thereof HONG KONG BAPTIST UNIVERSITY (HK) 2017-11-07 — — US disclosed
US-20160362691-A1 TRIPTOLIDE DERIVATIVES AND PREPARATION METHOD AND USE THEREOF HONG KONG BAPTIST UNIVERSITY (HK) 2016-12-15 — — US disclosed
US-5233089-A Charge transport material; used in electrophotographic plates to provide improved sensitivity, photoresponse and durability HITACHI, LTD. (JP) 1993-08-03 — — US disclosed
EP-0273426-B1 ENAMINE DERIVATIVES, PRODUCTION THEREOF AND ELECTROPHOTOGRAPHIC PLATES CONTAINING THE SAME Hitachi Chemical Co., Ltd. (JP) 1993-03-17 — — EP disclosed
EP-0435503-A1 Improvements in or relating to gylcopeptide derivatives ELI LILLY AND COMPANY (US) 1991-07-03 — — EP disclosed
EP-0273426-A2 Enamine derivatives, production thereof and electrophotographic plates containing the same Hitachi Chemical Co., Ltd. (JP) 1988-07-06 — — EP disclosed
US-4456671-A Electrophotographic photosensitive member having a photosensitive layer containing a hydrazone compound CANON KABUSHIKI KAISHA (JP) 1984-06-26 — — US disclosed
US-4399207-A Electrophotographic photosensitive member with hydrazone compound CANON KABUSHIKI KAISHA (JP) 1983-08-16 — — US disclosed
US-4256830-A SUBSTITUTED ALKYNES, ANTIFOGGING AGFA-GEVAERT, A.G. (DE) 1981-03-17 — — 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 (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-20160362691-A1 TRIPTOLIDE DERIVATIVES AND PREPARATION METHOD AND USE THEREOF TPD52L2, TRDMT1, MCTS1 L3MBTL1 46/4885NPC1 3076/4885ALDH1A1 2399/4885

“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.