SCHEMBL258640

SCHEMBL258640

CCCCCCCCCCCCCCCCc1cc[c]cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.57
ESR1 P03372 2/20 0.57
ADRA2A P08913 2/20 0.57
ADORA3 P0DMS8 2/20 0.57
TACR2 P21452 2/20 0.57
SLC6A2 P23975 2/20 0.57
SLC6A4 P31645 2/20 0.57
SLC6A3 Q01959 2/20 0.57
HSD17B10 Q99714 2/20 0.57
ALDH1A1 P00352 2/20 0.57
KDM4E B2RXH2 1/20 0.57
LMNA P02545 1/20 0.57
SHBG P04278 1/20 0.57
TP53 P04637 1/20 0.57
CYP3A4 P08684 1/20 0.57
HSPD1 P10809 1/20 0.57
ADRB3 P13945 1/20 0.57
HTR2C P28335 1/20 0.57
HSPE1 P61604 1/20 0.57
HIF1A Q16665 1/20 0.57

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
SCHEMBL2971186 1.00 PTGS2 (0.57) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL225807 1.00 PTGS2 (0.57) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL152118 1.00 PTGS2 (0.57) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL173702 1.00 PTGS2 (0.57) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL3673116 1.00 PTGS2 (0.57) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL2962583 1.00 PTGS2 (0.57) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL2967935 1.00 PTGS2 (0.57) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL151724 1.00 PTGS2 (0.57) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL1610040 1.00 PTGS2 (0.57) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL2972399 1.00 PTGS2 (0.57) PTGS2ESR1ADRA2AADORA3TACR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116349679-A Composite disinfection and sterilization method 孙国明 2023-06-30 CN claimed
CN-115433376-A Preparation method of long-acting disinfection and sterilization fabric or fiber 孙国明 2022-12-06 CN claimed
CN-112142909-B Resistance reducing agent and preparation method thereof 中国石油天然气股份有限公司 2022-06-03 CN claimed
EP-3784677-A1 NON-COORDINATING ANION TYPE ACTIVATORS CONTAINING CATION HAVING LARGE ALKYL GROUPS ExxonMobil Chemical Patents Inc. (US) 2021-03-03 EP claimed
CN-112351987-A Non-coordinating anionic activators containing cations with large alkyl groups 埃克森美孚化学专利公司 2021-02-09 CN claimed
CN-112142909-A Resistance reducing agent and preparation method thereof 中国石油天然气股份有限公司 2020-12-29 CN claimed
US-20190330139-A1 Non-Coordinating Anion Type Activators Containing Cation Having Large Alkyl Groups EXXONMOBIL CHEMICAL PATENTS INC. 2019-10-31 US claimed
CN-110357902-A A kind of and five thiophene and its preparation method and application 哈尔滨工业大学(威海) 2019-10-22 CN claimed
CN-109248637-A The Equipment for Heating Processing and application method of continous way lithium ion battery negative material 上海杉杉科技有限公司 2019-01-22 CN claimed
CN-108623613-A A kind of preparation method and application of nitrogenous, sulphur fused ring compound 哈尔滨工业大学(威海) 2018-10-09 CN claimed
US-20070238855-A1 Ethynylene acene polymers XEROX CORPORATION (US) 2007-10-11 US claimed
EP-1843410-A2 Functionalized heteroacenes and electronic devices generated therefrom Xerox Corporation (US) 2007-10-10 EP claimed
EP-1843409-A2 Poly(Alkynylthiophene)s and electronic devices generated therefrom Xerox Corporation (US) 2007-10-10 EP claimed
CN-101050269-A Functionalized heteroacenes and electronic devices generated therefrom XEROX CORP (US) 2007-10-10 CN claimed
CN-101050268-A Semiconductors and electronic devices generated therefrom XEROX CORP (US) 2007-10-10 CN claimed
CN-101050267-A Poly(alkynylthiophene)s and electronic devices generated therefrom XEROX CORP (US) 2007-10-10 CN claimed
US-20030099424-A1 Optical gain media and methods for making and using same MOHAJER YOUSEF (US) 2003-05-29 US claimed
WO-2003018592-A1 OPTICAL GAIN MEDIA PHOTON-X, INC. (US) 2003-03-06 WO claimed
US-4016159-A BACTERICIDES HOECHST AKTIENGESELLSCHAFT (DT) 1977-04-05 US claimed
US-3959460-A Cosmetic compositions containing anionic surface active agent containing mono- or polyhydroxylated mono- or poly ether chains and a terminal acid group L'OREAL (FR) 1976-05-25 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-20190330139-A1 Non-Coordinating Anion Type Activators Containing Cation Having Large Alkyl Groups KCNK10, KCNK4, HCN4 PTGS2 4100/4885ESR1 996/4885ADRA2A 999/4885

“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.