SCHEMBL7258182

SCHEMBL7258182

CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(Br)c(O)ccc3nc2-1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 19/20 0.79
▸ MEN1 O00255 5/20 0.79
▸ KMT2A Q03164 5/20 0.79
▸ SMN1; SMN2 Q16637 5/20 0.79
▸ ALDH1A1 P00352 2/20 0.79
▸ RECQL P46063 2/20 0.79
▸ TDP1 Q9NUW8 2/20 0.79
▸ GLA P06280 1/20 0.79
▸ KDM4E B2RXH2 4/20 0.77
▸ CASP1 P29466 3/20 0.77
▸ CASP7 P55210 3/20 0.77
▸ HBB P68871 3/20 0.77
▸ MAPT P10636 3/20 0.77
▸ USP2 O75604 2/20 0.77
▸ LMNA P02545 2/20 0.77
▸ BRCA1 P38398 2/20 0.77
▸ KEAP1 Q14145 2/20 0.77
▸ NFE2L2 Q16236 2/20 0.77
▸ HIF1A Q16665 2/20 0.77
▸ CYP3A4 P08684 2/20 0.77

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
SCHEMBL27818301 1.00 TOP1 (0.79) TOP1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL27170416 0.91 TOP1 (0.81) TOP1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL27603460 0.91 TOP1 (0.85) TOP1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL6599316 0.91 TOP1 (0.85) TOP1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL18251452 0.91 TOP1 (0.80) TOP1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL16214743 0.91 TOP1 (0.80) TOP1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL23432348 0.90 TOP1 (0.79) TOP1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL18251457 0.90 TOP1 (0.79) TOP1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL5325716 0.90 TOP1 (0.79) TOP1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL27170420 0.90 TOP1 (0.79) TOP1MEN1KMT2ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3095785-B1 SYNTHESIS METHOD OF 9-ALLYLCAMPTOTHECIN DERIVATIVES SHANGHAI HAIHE PHARMACEUTICAL CO LTD (CN) 2018-02-07 — — EP disclosed
US-9643975-B2 Synthesis method of 9-allylcamptothecin derivatives SHANGHAI HAIHE PHARMACEUTICAL CO., LTD (CN) 2017-05-09 — — US disclosed
US-9643975-B2 Synthesis method of 9-allylcamptothecin derivatives SHANGHAI HAIHE PHARMACEUTICAL CO., LTD (CN) 2017-05-09 — — US disclosed
US-20160340364-A1 SYNTHESIS METHOD OF 9-ALLYLCAMPTOTHECIN DERIVATIVES SHANGHAI HAIHE PHARMACEUTICAL CO., LTD. (CN) 2016-11-24 — — US disclosed
US-20160340364-A1 SYNTHESIS METHOD OF 9-ALLYLCAMPTOTHECIN DERIVATIVES SHANGHAI HAIHE PHARMACEUTICAL CO., LTD. (CN) 2016-11-24 — — US disclosed
EP-3095785-A1 SYNTHESIS METHOD OF 9-ALLYLCAMPTOTHECIN DERIVATIVES Shanghai Haihe Pharmaceutical Co., Ltd. (CN) 2016-11-23 — — EP disclosed
EP-0968213-B1 ALKYNYL-SUBSTITUTED CAMPTOTHECINS AND PROCESS FOR THEIR PREPARATION PHARMACIA ITALIA SPA (IT) 2003-01-22 — — EP disclosed
US-6420379-B1 ANTITUMOR AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 2002-07-16 — — US disclosed
US-6211192-B1 ANTITUMOR AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 2001-04-03 — — US disclosed
EP-0968213-A1 ALKYNYL-SUBSTITUTED CAMPTOTHECINS AND PROCESS FOR THEIR PREPARATION Pharmacia & Upjohn S.p.A. (IT) 2000-01-05 — — EP disclosed
US-5856333-A ANTITUMOR AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 1999-01-05 — — US disclosed
WO-1998035969-A1 ALKYNYL-SUBSTITUTED CAMPTOTHECINS AND PROCESS FOR THEIR PREPARATION PHARMACIA & UPJOHN S.P.A. (IT) 1998-08-20 — — WO disclosed
EP-0777670-A1 SUBSTITUTED CAMPTOTHECIN DERIVATIVES AND PROCESS FOR THEIR PREPARATION PHARMACIA & UPJOHN S.p.A. (IT) 1997-06-11 — — EP disclosed
WO-1996037496-A1 SUBSTITUTED CAMPTOTHECIN DERIVATIVES AND PROCESS FOR THEIR PREPARATION PHARMACIA & UPJOHN S.P.A. (IT) 1996-11-28 — — 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 (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-20160340364-A1 SYNTHESIS METHOD OF 9-ALLYLCAMPTOTHECIN DERIVATIVES XPOT, HCCS, DHPS TOP1 24/4885MEN1 242/4885KMT2A 1524/4885

“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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