SCHEMBL607389

SCHEMBL607389

COc1ccc2c(c1)CCC2O

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.52
GRIN2B Q13224 4/20 0.52
GRIN1 Q05586 1/20 0.52
LMNA P02545 1/20 0.51
HSD17B10 Q99714 1/20 0.51
SRD5A1 P18405 2/20 0.50
DRD2 P14416 1/20 0.50
DRD3 P35462 1/20 0.50
HTR2C P28335 1/20 0.50
ESR1 P03372 1/20 0.49
CHRNA7 P36544 1/20 0.49

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
SCHEMBL345441 0.90 CHRNA7 (0.50) CYP19A1GRIN2BGRIN1HTR2CCHRNA7
SCHEMBL3069878 0.88 CHRNA7 (0.49) CYP19A1GRIN2BGRIN1LMNAHSD17B10
SCHEMBL1744785 0.87 PGR (0.48) CYP19A1GRIN2BGRIN1LMNAHSD17B10
SCHEMBL326892 0.86 MTNR1A (0.54) CYP19A1DRD2DRD3HTR2C
SCHEMBL20341744 0.82 FFAR1 (0.52) GRIN2B
SCHEMBL18094372 0.82 FFAR1 (0.52) GRIN2B
SCHEMBL629387 0.81 HTR2C (0.50) CYP19A1LMNAHSD17B10SRD5A1DRD2
SCHEMBL9403350 0.81 OPRM1 (0.56) LMNAESR1
SCHEMBL4140163 0.80 LMNA (0.50) CYP19A1LMNAHSD17B10SRD5A1DRD2
SCHEMBL9749057 0.80 LMNA (0.50) CYP19A1LMNAHSD17B10SRD5A1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12162820-B2 Peripheral alkyl and alkenyl chains extended benzene derivatives and pharmaceutical composition including the same TAIWANJ PHARMACEUTICALS CO., LTD. (TW) 2024-12-10 US disclosed
WO-2024162284-A1 PYRAZOLE-4-CARBOXAMIDE COMPOUND AND AGRICULTURAL OR HORTICULTURAL PLANT DISEASE CONTROL AGENT USING SAME クミアイ化学工業株式会社 2024-08-08 WO disclosed
CN-113660932-B Phenyl derivatives having pendant alkyl and alkenyl extensions and pharmaceutical compositions comprising the same 景凯生物科技股份有限公司 2024-07-12 CN disclosed
US-20220153687-A1 PERIPHERAL ALKYL AND ALKENYL CHAINS EXTENDED BENZENE DERIVATIVES AND PHARMACEUTICAL COMPOSITION INCLUDING THE SAME TAIWANJ PHARMACEUTICALS CO., LTD. (TW) 2022-05-19 US disclosed
US-20220153687-A1 PERIPHERAL ALKYL AND ALKENYL CHAINS EXTENDED BENZENE DERIVATIVES AND PHARMACEUTICAL COMPOSITION INCLUDING THE SAME TAIWANJ PHARMACEUTICALS CO., LTD. (TW) 2022-05-19 US disclosed
EP-3946299-A1 PERIPHERAL ALKYL AND ALKENYL CHAINS EXTENDED BENZENE DERIVATIVES AND PHARMACEUTICAL COMPOSITION INCLUDING THE SAME Taiwanj Pharmaceuticals Co., Ltd. (TW) 2022-02-09 EP disclosed
CN-113660932-A Phenyl derivatives with pendant alkyl and alkenyl extensions and pharmaceutical compositions comprising the same 景凯生物科技股份有限公司 2021-11-16 CN disclosed
WO-2020205455-A1 PERIPHERAL ALKYL AND ALKENYL CHAINS EXTENDED BENZENE DERIVATIVES AND PHARMACEUTICAL COMPOSITION INCLUDING THE SAME TAIWANJ PHARMACEUTICALS, CO., LTD. (TW) 2020-10-08 WO disclosed
WO-2020205455-A1 PERIPHERAL ALKYL AND ALKENYL CHAINS EXTENDED BENZENE DERIVATIVES AND PHARMACEUTICAL COMPOSITION INCLUDING THE SAME TAIWANJ PHARMACEUTICALS, CO., LTD. (TW) 2020-10-08 WO disclosed
US-20200061063-A1 BICYCLICALLY SUBSTITUTED URACILS AND THE USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-02-27 US disclosed
US-20070066647-A1 Conformationally constrained 3-(4-hydroxy-phenyl)-substituted-propanoic acids useful for treating metabolic disorders AMGEN ING. (US) 2007-03-22 US disclosed
US-20070066647-A1 Conformationally constrained 3-(4-hydroxy-phenyl)-substituted-propanoic acids useful for treating metabolic disorders AMGEN ING. (US) 2007-03-22 US disclosed
WO-2007033002-A1 CONFORMATIONALLY CONSTRAINED 3- (4-HYDROXY-PHENYL) - SUBSTITUTED-PROPANOIC ACIDS USEFUL FOR TREATING METABOLIC DISORDERS AMGEN INC. (US) 2007-03-22 WO disclosed
EP-1559422-A1 RECEPTOR FUNCTION CONTROLLING AGENT Takeda Pharmaceutical Company Limited (JP) 2005-08-03 EP disclosed
US-3987082-A PROSTAGLANDIN INTERMEDIATE MERCK & CO., INC. (US) 1976-10-19 US disclosed
US-3987082-A PROSTAGLANDIN INTERMEDIATE MERCK & CO., INC. (US) 1976-10-19 US disclosed
US-3950359-A PROSTAGLANDINS AND METHODS OF MAKING SAME MERCK & CO., INC. (US) 1976-04-13 US disclosed
US-3950359-A PROSTAGLANDINS AND METHODS OF MAKING SAME MERCK & CO., INC. (US) 1976-04-13 US disclosed
US-3925419-A 5-Cyclic ethylene acetals of 5-oxocyclopentane heptanoic acids and esters MERCK & CO INC 1975-12-09 US disclosed
US-3894052-A Cyclic ethylene acetals of 3-acetoxy-2-formyl-5-oxocyclopentaneheptanoic acid MERCK & CO INC 1975-07-08 US 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 (4 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-20070066647-A1 Conformationally constrained 3-(4-hydroxy-phenyl)-substituted-propanoic acids useful for treating metabolic disorders PC, PNLIP, PDHX CYP19A1 514/4885GRIN2B 3161/4885GRIN1 2859/4885
US-20220153687-A1 PERIPHERAL ALKYL AND ALKENYL CHAINS EXTENDED BENZENE DERIVATIVES AND PHARMACEUTICAL COMPOSITION INCLUDING THE SAME AADAC, ENPP2, ATXN10 CYP19A1 1170/4885GRIN2B 3271/4885GRIN1 3992/4885
US-20200061063-A1 BICYCLICALLY SUBSTITUTED URACILS AND THE USE THEREOF UNG, UMPS, TYMP CYP19A1 1787/4885GRIN2B 3441/4885GRIN1 3503/4885
US-12162820-B2 Peripheral alkyl and alkenyl chains extended benzene derivatives and pharmaceutical composition including the same AADAC, ENPP2, ATXN10 CYP19A1 1170/4885GRIN2B 3271/4885GRIN1 3992/4885

“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.