SCHEMBL2674306

SCHEMBL2674306

CCCCCCCCCc1ccc(CN)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.76
ESR1 P03372 2/20 0.63
ADRA2A P08913 2/20 0.63
ADORA3 P0DMS8 2/20 0.63
TACR2 P21452 2/20 0.63
SLC6A2 P23975 2/20 0.63
SLC6A4 P31645 2/20 0.63
SLC6A3 Q01959 2/20 0.63
KDM4E B2RXH2 1/20 0.63
ALDH1A1 P00352 1/20 0.63
LMNA P02545 1/20 0.63
SHBG P04278 1/20 0.63
TP53 P04637 1/20 0.63
CYP3A4 P08684 1/20 0.63
HSPD1 P10809 1/20 0.63
ADRB3 P13945 1/20 0.63
HTR2C P28335 1/20 0.63
HSPE1 P61604 1/20 0.63
HIF1A Q16665 1/20 0.63
TST Q16762 1/20 0.63

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
SCHEMBL4091747 1.00 HTR2A (0.76) HTR2AESR1ADRA2AADORA3TACR2
SCHEMBL393623 1.00 HTR2A (0.76) HTR2AESR1ADRA2AADORA3TACR2
SCHEMBL29285307 1.00 HTR2A (0.76) HTR2AESR1ADRA2AADORA3TACR2
SCHEMBL177190 1.00 HTR2A (0.76) HTR2AESR1ADRA2AADORA3TACR2
SCHEMBL395308 1.00 HTR2A (0.76) HTR2AESR1ADRA2AADORA3TACR2
SCHEMBL394553 1.00 HTR2A (0.76) HTR2AESR1ADRA2AADORA3TACR2
SCHEMBL920406 1.00 HTR2A (0.76) HTR2AESR1ADRA2AADORA3TACR2
SCHEMBL29038707 1.00 HTR2A (0.76) HTR2AESR1ADRA2AADORA3TACR2
SCHEMBL395434 0.98 HTR2A (0.72) HTR2AESR1ADRA2AADORA3TACR2
Hydrochloric Acid SCHEMBL1856278 0.95 HTR2A (0.69) HTR2AESR1ADRA2AADORA3TACR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12037541-B2 Anionic-cationic-nonionic surfactant, production and use thereof CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2024-07-16 US disclosed
US-20220033705-A1 ANIONIC-CATIONIC-NONIONIC SURFACTANT, PRODUCTION AND USE THEREOF CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2022-02-03 US disclosed
US-11186764-B2 Anionic-cationic-nonionic surfactant, production and use thereof CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2021-11-30 US disclosed
US-20190330516-A1 ANIONIC-CATIONIC-NONIONIC SURFACTANT, PRODUCTION AND USE THEREOF CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2019-10-31 US disclosed
US-10400156-B2 Anionic-cationic-nonionic surfactant, production and use thereof CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2019-09-03 US disclosed
CN-105642185-B A kind of anionic-cationic-nonionic surface active agent, its manufacturing method and its application 中国石油化工股份有限公司 2018-07-31 CN disclosed
US-20170313928-A1 ANIONIC-CATIONIC-NONIONIC SURFACTANT,PRODUCTION AND USE THEREOF CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2017-11-02 US disclosed
US-9770442-B2 Self-assembling amphiphilic polymers as anti-cancer agents ALLEXCEL INC. (US) 2017-09-26 US disclosed
EP-2167103-B1 SELF-ASSEMBLING AMPHIPHILIC POLYMERS AS ANTICANCER AGENTS ALLEXCEL INC (US) 2017-03-01 EP disclosed
EP-2120974-B1 SELF-ASSEMBLING AMPHIPHILIC POLYMERS AS ANTIVIRAL AGENTS ALLEXCEL INC (US) 2017-03-01 EP disclosed
WO-2006043149-A2 NOVEL DICARBOXYLIC ACID DERIVATIVES BIOPROJET (FR) 2006-04-27 WO disclosed
EP-1650186-A1 Novel dicarboxylic acid derivatives BIOPROJET (FR) 2006-04-26 EP disclosed
EP-1470137-A4 EDG RECEPTOR AGONISTS MERCK & CO INC (US) 2005-06-15 EP disclosed
US-20050070506-A1 Selective s1p1/edg1 receptor agonists DOHERTY GEORGE A (US) 2005-03-31 US disclosed
US-20050033055-A1 Edg receptor agonists MERCK SHARP & DOHME CORP. 2005-02-10 US disclosed
EP-1469863-A2 SELECTIVE S1P1/EDG1 RECEPTOR AGONISTS Merck & Co., Inc. (US) 2004-10-27 EP disclosed
EP-1470137-A1 EDG RECEPTOR AGONISTS Merck & Co., Inc. (US) 2004-10-27 EP disclosed
US-20040058894-A1 Selective S1P1/Edg1 receptor agonists DOHERTY GEORGE A (US) 2004-03-25 US disclosed
WO-2003061567-A2 SELECTIVE S1P1/EDG1 RECEPTOR AGONISTS MERCK & CO., INC. (US) 2003-07-31 WO disclosed
WO-2003062252-A1 EDG RECEPTOR AGONISTS MERCK & CO., INC. (US) 2003-07-31 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 (9 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-20050070506-A1 Selective s1p1/edg1 receptor agonists S1PR1, S1PR3, S1PR5 HTR2A 1401/4885ESR1 911/4885ADRA2A 331/4885
US-20040058894-A1 Selective S1P1/Edg1 receptor agonists S1PR1, S1PR3, S1PR2 HTR2A 857/4885ESR1 820/4885ADRA2A 306/4885
US-20190330516-A1 ANIONIC-CATIONIC-NONIONIC SURFACTANT, PRODUCTION AND USE THEREOF LIPA, ABHD12, ABHD16A HTR2A 4056/4885ESR1 2837/4885ADRA2A 2849/4885
US-20050033055-A1 Edg receptor agonists EDNRA, EDNRB, GPR65 HTR2A 585/4885ESR1 220/4885ADRA2A 128/4885
US-12037541-B2 Anionic-cationic-nonionic surfactant, production and use thereof LIPA, SGMS1, AQP1 HTR2A 3835/4885ESR1 2274/4885ADRA2A 2633/4885
US-11186764-B2 Anionic-cationic-nonionic surfactant, production and use thereof LIPA, ABHD12, ABHD16A HTR2A 4056/4885ESR1 2837/4885ADRA2A 2849/4885
US-20220033705-A1 ANIONIC-CATIONIC-NONIONIC SURFACTANT, PRODUCTION AND USE THEREOF LIPA, ABHD16A, ABHD12 HTR2A 3827/4885ESR1 2216/4885ADRA2A 2736/4885
US-10400156-B2 Anionic-cationic-nonionic surfactant, production and use thereof LIPA, ABHD12, ABHD16A HTR2A 4056/4885ESR1 2837/4885ADRA2A 2849/4885
US-20170313928-A1 ANIONIC-CATIONIC-NONIONIC SURFACTANT,PRODUCTION AND USE THEREOF LIPA, ABHD12, ABHD16A HTR2A 4056/4885ESR1 2837/4885ADRA2A 2849/4885

“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.