SCHEMBL1848748

SCHEMBL1848748

Brc1ccc2c(c1)C=CCO2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 3/20 0.45
CA9 Q16790 2/20 0.44
CA12 O43570 1/20 0.44
CA2 P00918 1/20 0.44
CYP2B6 P20813 1/20 0.42
MAPT P10636 3/20 0.41
BLM P54132 2/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 1/20 0.41
STS P08842 1/20 0.38
ALOX5 P09917 1/20 0.36
HTR2C P28335 1/20 0.35
CYP1A2 P05177 4/20 0.33
TP53 P04637 3/20 0.33
CYP1B1 Q16678 2/20 0.33
CYP3A4 P08684 1/20 0.33
PKM P14618 1/20 0.33
NPR1 P16066 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
Pivalate SCHEMBL27573360 0.84 CA12 (0.38) AHRCA9CA12CA2CYP2B6
SCHEMBL29274342 0.84 STS (0.49) AHRCA9CA12CA2CYP2B6
SCHEMBL2113039 0.81 LMNA (0.47) AHRCA9CA12CA2MAPT
SCHEMBL11872738 0.79 MAPT (0.44) AHRCA9CA12CA2MAPT
SCHEMBL4550984 0.76 CYP2B6 (0.46) CA9CYP2B6STSCYP1A2CYP1B1
SCHEMBL2007996 0.76 CYP2B6 (0.42) CA9CYP2B6STSCYP1A2CYP1B1
SCHEMBL3199320 0.76 AHR (0.45) AHRCA9CYP2B6MAPTLMNA
SCHEMBL1192912 0.76 CYP3A4 (0.45) CA9CA12CA2CYP2B6MAPT
SCHEMBL18617980 0.76 CYP2B6 (0.42) CA9CYP2B6STSCYP1A2CYP1B1
SCHEMBL5390733 0.76 CYP2B6 (0.42) CA9CYP2B6STSCYP1A2CYP1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250276962-A1 CONTRACEPTIVE COMPOUNDS AND METHODS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2025-09-04 US disclosed
US-12281105-B2 Contraceptive compounds and methods REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2025-04-22 US disclosed
CN-117881674-A Contraceptive compounds and methods 明尼苏达大学董事会 2024-04-12 CN disclosed
US-20240109872-A1 CONTRACEPTIVE COMPOUNDS AND METHODS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2024-04-04 US disclosed
EP-4334309-A1 CONTRACEPTIVE COMPOUNDS AND METHODS Regents of the University of Minnesota (US) 2024-03-13 EP disclosed
US-11780828-B2 Contraceptive compounds and methods REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2023-10-10 US disclosed
US-20220388993-A1 CONTRACEPTIVE COMPOUNDS AND METHODS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2022-12-08 US disclosed
WO-2022235693-A1 CONTRACEPTIVE COMPOUNDS AND METHODS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2022-11-10 WO disclosed
US-8569312-B2 Biaryl-spiroaminooxzaoline analogues as alpha 2C adrenergic receptor modulators MERCK SHARP & DOHME CORP. (US) 2013-10-29 US disclosed
US-8569312-B2 Biaryl-spiroaminooxzaoline analogues as alpha 2C adrenergic receptor modulators MERCK SHARP & DOHME CORP. (US) 2013-10-29 US disclosed
US-20060229318-A1 Piperazine compounds LES LABORATOIRES SERVIER (FR) 2006-10-12 US disclosed
EP-1710240-A1 Piperazine derivatives and their use as serotonin reuptake inhibitors or as neurokinin antagonists Les Laboratoires Servier (FR) 2006-10-11 EP disclosed
WO-2005042509-A1 7-`(7-ALKOXY)-CHROM-3-EN-6-YL!-HEPTATRIENOIC ACID AND 7-`(3­ALKOXY)-5,6-DIHYDRONAPHTHALEN-2-YL!-HEPTATRIENOIC ACID DERIVATIVES MODULATORS ALLERGAN, INC. (US) 2005-05-12 WO disclosed
US-20050096380-A1 7-[(7-ALKOXY)-CHROM-3-EN-6-YL]-HEPTATRIENOIC ACID AND 7-[(3-ALKOXY)-5,6-DIHYDRONAPHTHALEN-2-YL]-HEPTATRIENOIC ACID DERIVATIVES HAVING SERUM GLUCOSE REDUCING ACTIVITY ALLERGAN, INC. 2005-05-05 US disclosed
US-6887896-B1 7-[(7-Alkoxy)-chrom-3-en-6-yl]-heptatrienoic acid and 7-[(3-alkoxy)-5,6-dihydronaphthalen-2-yl]-heptatrienoic acid derivatives having serum glucose reducing activity ALLERGAN, INC. (US) 2005-05-03 US disclosed
US-6590048-B1 Catalysts comprising group VIII compounds used for cyclization of crown ethers, antibiotics, veterinary medicines or perfumes STUDIENGESELLSCHAFT KOHLE MBH (DE) 2003-07-08 US disclosed
EP-1037897-B1 HIGHLY ACTIVE CATIONIC RUTHENIUM AND OSMIUM COMPLEXES FOR OLEFIN METATHESIS REACTIONS STUDIENGESELLSCHAFT KOHLE MBH (DE) 2002-06-12 EP disclosed
US-6201131-B1 REACTING A 2-(ARYLSUFONYL) ETHANOL DERIVATIVE WITH AN ACID ANHYDRIDE IN PRESENCE OF A BASE, FURTHER REACTING THIS WITH AN AROMATIC HALIDE IN THE PRESENCE OF A PALLADIUM CATALYST; USEFUL AS INTERMEDIATES TO DRUGS, AGROCHEMICALS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-03-13 US disclosed
EP-1037897-A1 HIGHLY ACTIVE CATIONIC RUTHENIUM AND OSMIUM COMPLEXES FOR OLEFIN METATHESIS REACTIONS Studiengesellschaft Kohle mbH (DE) 2000-09-27 EP disclosed
WO-1999028330-A1 HIGHLY ACTIVE CATIONIC RUTHENIUM AND OSMIUM COMPLEXES FOR OLEFIN METATHESIS REACTIONS STUDIENGESELLSCHAFT KOHLE MBH (DE) 1999-06-10 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 (7 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-20250276962-A1 CONTRACEPTIVE COMPOUNDS AND METHODS CYP19A1, GNRHR, NR5A1 AHR 1980/4885CA9 1119/4885CA12 1060/4885
US-11780828-B2 Contraceptive compounds and methods CYP19A1, GNRHR, NR5A1 AHR 1980/4885CA9 1119/4885CA12 1060/4885
US-20050096380-A1 7-[(7-ALKOXY)-CHROM-3-EN-6-YL]-HEPTATRIENOIC ACID AND 7-[(3-ALKOXY)-5,6-DIHYDRONAPHTHALEN-2-YL]-HEPTATRIENOIC ACID DERIVATIVES HAVING SERUM GLUCOSE REDUCING ACTIVITY TPO, THRA, FABP6 AHR 434/4885CA9 1342/4885CA12 2594/4885
US-20240109872-A1 CONTRACEPTIVE COMPOUNDS AND METHODS CYP19A1, GNRHR, NR5A1 AHR 1980/4885CA9 1119/4885CA12 1060/4885
US-20220388993-A1 CONTRACEPTIVE COMPOUNDS AND METHODS CYP19A1, GNRHR, NR5A1 AHR 1980/4885CA9 1119/4885CA12 1060/4885
US-20060229318-A1 Piperazine compounds HTR7, HTR5A, NPY5R AHR 99/4885CA9 3957/4885CA12 4035/4885
US-12281105-B2 Contraceptive compounds and methods CYP19A1, GNRHR, NR5A1 AHR 1980/4885CA9 1119/4885CA12 1060/4885

“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.