SCHEMBL258245

SCHEMBL258245

CCCc1[c]c2ccccc2cc1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
ATM Q13315 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2A6 P11509 1/20 0.32

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
SCHEMBL258351 0.89 TLR8 (0.36) GAAATMCYP1A2CYP2A6
SCHEMBL360721 0.87 KCNH2 (0.39) KDM4EALDH1A1GAA
SCHEMBL3281783 0.85 KCNH2 (0.42) KDM4EALDH1A1
SCHEMBL3671647 0.85 KCNH2 (0.42) KDM4EALDH1A1
SCHEMBL409777 0.85 KCNH2 (0.42) KDM4EALDH1A1
SCHEMBL3670490 0.85 KCNH2 (0.42) KDM4EALDH1A1
SCHEMBL2460770 0.85 KCNH2 (0.42) KDM4EALDH1A1
SCHEMBL3670506 0.85 KCNH2 (0.42) KDM4EALDH1A1
SCHEMBL9145259 0.85 KCNH2 (0.42) KDM4EALDH1A1
SCHEMBL3282347 0.85 KCNH2 (0.42) KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109704913-A A kind of spiro fluorene compound and its application 瑞声科技(南京)有限公司 2019-05-03 CN claimed
US-8334391-B2 Functionalized heteroacenes XEROX CORPORATION (US) 2012-12-18 US claimed
US-20090306442-A1 OLIGOMERISATION CATALYST WITH PENDANT DONOR GROUPS SASOL TECHNOLOGY (PTY) LIMITED (ZA) 2009-12-10 US claimed
EP-2024305-A2 OLIGOMERISATION CATALYST WITH PENDANT DONOR GROUPS Sasol Technology (Pty) Ltd (ZA) 2009-02-18 EP claimed
US-7372071-B2 Functionalized heteroacenes and electronic devices generated therefrom XEROX CORPORATION (US) 2008-05-13 US claimed
WO-2007138545-A2 OLIGOMERISATION CATALYST WITH PENDANT DONOR GROUPS SASOL TECHNOLOGY (PTY) LIMITED (ZA) 2007-12-06 WO claimed
WO-2007135417-A1 BENZOTRIAZEPINONE DERIVATIVES JAMES BLACK FOUNDATION (GB) 2007-11-29 WO claimed
WO-2007135350-A1 BENZOTRIAZEPINONE DERIVATIVES JAMES BLACK FOUNDATION (GB) 2007-11-29 WO claimed
US-20070260069-A1 Functionalized heteroacenes XEROX CORPORATION 2007-11-08 US claimed
US-20070235721-A1 Functionalized heteroacenes and electronic devices generated therefrom XEROX CORPORATION 2007-10-11 US claimed
US-20050197338-A1 Substituted pyrazole urea compounds for the treatment of inflammation PHARMACIA AND UPJOHN COMPANY LLC 2005-09-08 US claimed
WO-2005037797-A1 SUBSTITUTED PYRAZOLE UREA COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2005-04-28 WO claimed
US-5512188-A DURABLE LUBRICANTS HAVING REDUCED FLAKING NIPPON OIL CO., LTD. (JP) 1996-04-30 US claimed
US-5462683-A Thickener, boron nitride powder, extreme pressure agent comprising molybdenum compound, and sulfur and phosphorus containing compounds; nonflaking NIPPON OIL CO., LTD. (JP) 1995-10-31 US claimed
US-RE31300-E Process for preparing alkyl- or arylphosphonothioic dihalides STAUFFER CHEMICAL COMPANY (US) 1983-07-05 US claimed
US-4130583-A AUTOGENOUS PRESSURE STAUFFER CHEMICAL COMPANY (US) 1978-12-19 US claimed
US-4052463-A PROCESS FOR PREPARING TERTIARY PHOSPHINE SULFIDES AND OXIDES STAUFFER CHEMICAL COMPANY (US) 1977-10-04 US claimed
US-4000190-A FROM DIALKYL OR DIARYL DISULFIDES, PHOSPHORUS, AND PHOSPHORUS TRIHALIDE STAUFFER CHEMICAL COMPANY (US) 1976-12-28 US claimed
US-3968156-A Process for preparing alkyl-or arylphosphonothioic dihalides STAUFFER CHEMICAL COMPANY (US) 1976-07-06 US claimed
US-3962323-A PHOSPHORUS TRIHALIDE STAUFFER CHEMICAL COMPANY (US) 1976-06-08 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 (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-20070260069-A1 Functionalized heteroacenes SOD1, AHR, NR0B2 KDM4E 3546/4885ALDH1A1 2135/4885GAA 4806/4885
US-20090306442-A1 OLIGOMERISATION CATALYST WITH PENDANT DONOR GROUPS NOD1, ORC3, APEX1 KDM4E 4712/4885ALDH1A1 3141/4885GAA 3714/4885
US-20050197338-A1 Substituted pyrazole urea compounds for the treatment of inflammation IL4, ARG2, CASP4 KDM4E 2424/4885ALDH1A1 846/4885GAA 3532/4885

“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.