SCHEMBL3941872

SCHEMBL3941872

CCCCCCc1ccc(F)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
ALDH1A1 P00352 2/20 0.63
KDM4E B2RXH2 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
HSD17B10 Q99714 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
SCHEMBL13564082 1.00 ESR1 (0.63) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL9717309 1.00 ESR1 (0.63) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL27362553 1.00 ESR1 (0.63) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL2615718 1.00 ESR1 (0.63) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL2615717 1.00 ESR1 (0.63) ESR1ADRA2AADORA3TACR2SLC6A2
Ammonia Solution, Strong SCHEMBL7005637 0.98 ESR1 (0.61) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL1430472 0.98 ALDH1A1 (0.59) ESR1ADRA2AADORA3TACR2SLC6A2
Methyl Alcohol SCHEMBL27692953 0.96 ESR1 (0.64) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL8052463 0.94 HSD17B10 (0.61) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL10929094 0.94 HSD17B10 (0.61) ESR1ADRA2AADORA3TACR2SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180318816-A1 METAL ORGANIC FRAMEWORKS, THEIR SYNTHESIS AND USE EXXONMOBIL RESEARCH AND ENGINEERING COMPANY 2018-11-08 US claimed
WO-2018204602-A1 METAL ORGANIC FRAMEWORKS, THEIR SYNTHESIS AND USE EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2018-11-08 WO claimed
US-12091595-B2 Curable organopolysiloxane release agent composition for thermal paper, thermal paper, and thermal recording label sheet DOW TORAY CO., LTD. (JP) 2024-09-17 US disclosed
US-12037323-B2 Uracil derivatives as Mer-AXL inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-16 US disclosed
US-20230339891-A1 URACIL DERIVATIVES AS MER-AXL INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2023-10-26 US disclosed
US-11225480-B2 Malic enzyme inhibitors SUN PHARMA ADVANCED RESEARCH COMPANY LTD (IN) 2022-01-18 US disclosed
US-20210403462-A1 PESTICIDALLY ACTIVE AZOLE-AMIDE COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2021-12-30 US disclosed
US-20210189193-A1 CURABLE ORGANOPOLYSILOXANE RELEASE AGENT COMPOSITION FOR THERMAL PAPER, THERMAL PAPER, AND THERMAL RECORDING LABEL SHEET DOW TORAY CO., LTD. (JP) 2021-06-24 US disclosed
EP-2968211-B1 PHENYL ALKYL CARBAMATE COMPOUNDS FOR USE IN PREVENTING OR TREATING EPILEPSY OR EPILEPSY-RELATED SYNDROME BIO PHARM SOLUTIONS CO LTD (KR) 2021-05-12 EP disclosed
US-20210115038-A1 MALIC ENZYME INHIBITORS SUN PHARMA ADVANCED RESEARCH COMPANY LTD (IN) 2021-04-22 US disclosed
CN-109096046-B Preparation method of halogenated alkane synthesized from styrene and derivatives thereof and trichloroalkane 温州大学 2021-03-02 CN disclosed
US-7763610-B2 Carboxylic acid derived benzoxazines as agents for the treatment of respiratory diseases ONO PHARMACEUTICAL CO., LTD. (JP) 2010-07-27 US disclosed
EP-2046746-A2 CHEMICAL COMPOUNDS Praecis Pharmaceuticals Incorporated (US) 2009-04-15 EP disclosed
CN-101292380-A Lithium ion batteries ALTAIRNANO INC (US) 2008-10-22 CN disclosed
WO-2008016692-A2 CHEMICAL COMPOUNDS PRAECIS PHARMACEUTICALS INCORPORATED (US) 2008-02-07 WO disclosed
CN-1524068-A Perfluoroalkylphenol stain resists 纳幕尔杜邦公司 2004-08-25 CN disclosed
CN-1058963-C Triazole derivative, insecticidal/acaricidal agent, and process for producing the same KUMIAI CHEMICAL INDUSTRY CO (JP) 2000-11-29 CN disclosed
CN-1197452-A Azetidinone derivatives for treatment of atherosclerosis SMITHKLINE BEECHAM PLC (GB) 1998-10-28 CN disclosed
EP-0686151-A1 SUBSTITUTED CYCLIC CARBONYLS AND DERIVATIVES THEREOF USEFUL AS RETROVIRAL PROTEASE INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-12-13 EP disclosed
CN-1105179-A Triazole derivative, insecticidal/acaricidal agent, and process for producing the same KUMIAI CHEMICAL INDUSTRY CO (JP) 1995-07-12 CN 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 (5 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-20210115038-A1 MALIC ENZYME INHIBITORS ME1, ME2, ME3 ESR1 4046/4885ADRA2A 4677/4885ADORA3 4806/4885
US-12037323-B2 Uracil derivatives as Mer-AXL inhibitors MERTK, DAPK1, AXL ESR1 3002/4885ADRA2A 3920/4885ADORA3 692/4885
US-11225480-B2 Malic enzyme inhibitors ME1, RNASE1, ME2 ESR1 3778/4885ADRA2A 3680/4885ADORA3 4659/4885
US-20210403462-A1 PESTICIDALLY ACTIVE AZOLE-AMIDE COMPOUNDS DDT, ACHE, NIT2 ESR1 3481/4885ADRA2A 1197/4885ADORA3 1175/4885
US-20230339891-A1 URACIL DERIVATIVES AS MER-AXL INHIBITORS MERTK, DAPK1, AXL ESR1 3002/4885ADRA2A 3920/4885ADORA3 692/4885

“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.