SCHEMBL433374

SCHEMBL433374

CCCCc1cc(C)cc(CCCC)n1

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 12/20 0.74
NOS1 P29475 9/20 0.55
NOS3 P29474 9/20 0.55
KCNH2 Q12809 2/20 0.48
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46

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
SCHEMBL1188222 0.93 NOS2 (0.66) NOS2NOS1NOS3KCNH2ESR1
SCHEMBL1187329 0.91 NOS2 (0.63) NOS2NOS1NOS3KCNH2
SCHEMBL1188113 0.91 NOS2 (0.63) NOS2NOS1NOS3KCNH2
SCHEMBL1188072 0.91 NOS2 (0.63) NOS2NOS1NOS3KCNH2
SCHEMBL1187021 0.91 NOS2 (0.63) NOS2NOS1NOS3KCNH2
SCHEMBL1187601 0.91 NOS2 (0.63) NOS2NOS1NOS3KCNH2
SCHEMBL1187537 0.91 NOS2 (0.63) NOS2NOS1NOS3KCNH2
SCHEMBL1187340 0.91 NOS2 (0.63) NOS2NOS1NOS3KCNH2
SCHEMBL1188212 0.91 NOS2 (0.63) NOS2NOS1NOS3KCNH2
SCHEMBL1188068 0.91 NOS2 (0.63) NOS2NOS1NOS3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1982988-B1 METHOD OF SYNTHESIS OF CIGUATOXIN CTX1B AND COMPOUNDS USEFUL FOR THE SYNTHESIS OF CIGUATOXIN CTX1B JAPAN SCIENCE & TECH AGENCY (JP) 2014-06-04 EP claimed
US-20100160651-A1 METHOD FOR SYNTHESIS OF CIGUATOXIN CTX1B AND COMPOUNDS USEFUL FOR THE SYNTHESIS OF CIGUATOXIN CTX1B JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2010-06-24 US claimed
EP-1982988-A1 METHOD FOR SYNTHESIS OF CIGUATOXIN CTX1B AND COMPOUND USEFUL FOR THE SYNTHESIS OF CIGUATOXIN CTX1B Japan Science and Technology Agency (JP) 2008-10-22 EP claimed
EP-4644396-A1 TOLL-LIKE RECEPTOR INHIBITOR, AND PREPARATION THEREFOR AND APPLICATION THEREOF Visionpharma (Nantong) Co., Ltd (CN) 2025-11-05 EP disclosed
US-20210094975-A1 RAPAMYCIN ANALOGS AS MTOR INHIBITORS Revolution Medicines, Inc. 2021-04-01 US disclosed
CN-106957400-A A kind of soft segment is isobutene, and hard section is the preparation method of the special elastomer of Styrene and its derivatives 北京石油化工学院 2017-07-18 CN disclosed
US-20150374840-A1 MODIFIED PEPTIDES AND PROTEINS AmideBio LLC 2015-12-31 US disclosed
EP-2846798-A2 ALIPHATIC SPIROLACTAM CGRP RECEPTOR ANTAGONISTS Merck Sharp & Dohme Corp. (US) 2015-03-18 EP disclosed
EP-1982988-B1 METHOD OF SYNTHESIS OF CIGUATOXIN CTX1B AND COMPOUNDS USEFUL FOR THE SYNTHESIS OF CIGUATOXIN CTX1B JAPAN SCIENCE & TECH AGENCY (JP) 2014-06-04 EP disclosed
WO-2013169574-A2 ALIPHATIC SPIROLACTAM CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2013-11-14 WO disclosed
US-8481736-B2 Liquid crystalline rylene tetracarboxylic acid derivatives and use thereof BASF SE (DE) 2013-07-09 US disclosed
EP-1843407-A1 Liquid crystalline rylenetetracarboxylic acid derivatives and their use BASF AKTIENGESELLSCHAFT (DE) 2007-10-10 EP disclosed
US-20050107622-A1 Novel method for wholly synthesizing of ciguatoxin ctx3c derivative JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2005-05-19 US disclosed
EP-1268502-A1 O-ARYL GLUCOSIDE SGLT2 INHIBITORS AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2003-01-02 EP disclosed
WO-2001074834-A1 O-ARYL GLUCOSIDE SGLT2 INHIBITORS AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2001-10-11 WO disclosed
WO-2000064908-A1 N-TRI OR DI-ALKYLSILYL( PERFLUOROAL KANESULPHONYL) IMIDE DERIVATIVES, PREPARATION AND USE RHODIA CHIMIE (FR) 2000-11-02 WO disclosed
WO-1998016528-A1 PURINE INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 (GSK3) CHIRON CORPORATION (US) 1998-04-23 WO disclosed
US-5618807-A Method for preparing 17-substituted steroids useful in cancer treatment BRITISH TECHNOLOGY GROUP LIMITED (GB) 1997-04-08 US disclosed
EP-0740657-A1 4-ARYLISOINDOLE ANALGESICS ORTHO PHARMACEUTICAL CORPORATION (US) 1996-11-06 EP disclosed
WO-1995017384-A1 4-ARYLISOINDOLE ANALGESICS ORTHO PHARMACEUTICAL CORPORATION (US) 1995-06-29 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 (4 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-20100160651-A1 METHOD FOR SYNTHESIS OF CIGUATOXIN CTX1B AND COMPOUNDS USEFUL FOR THE SYNTHESIS OF CIGUATOXIN CTX1B CBR3, ADCY6, ADCY3 NOS2 3415/4885NOS1 3010/4885NOS3 1738/4885
US-20150374840-A1 MODIFIED PEPTIDES AND PROTEINS IAPP, VIP, ENPEP NOS2 2390/4885NOS1 2239/4885NOS3 2027/4885
US-20050107622-A1 Novel method for wholly synthesizing of ciguatoxin ctx3c derivative PRXL2A, CNPY3, PRDX6 NOS2 952/4885NOS1 1285/4885NOS3 192/4885
US-20210094975-A1 RAPAMYCIN ANALOGS AS MTOR INHIBITORS MTOR, RICTOR, RPTOR NOS2 3930/4885NOS1 3795/4885NOS3 3832/4885

“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.