SCHEMBL2961606

SCHEMBL2961606

CC(=O)Nc1cccc2c1OCCO2

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 9/20 0.57
KDM4E B2RXH2 3/20 0.51
HSD17B10 Q99714 2/20 0.51
ALDH1A1 P00352 2/20 0.51
ALOX15 P16050 1/20 0.51
MRGPRX1 Q96LB2 1/20 0.51
CASP1 P29466 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
KMT2A Q03164 1/20 0.47
ABCB1 P08183 1/20 0.45
FLT1 P17948 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.44

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
SCHEMBL6316842 0.87 LMNA (0.56) MTNR1AKDM4EALDH1A1POLBABCB1
SCHEMBL16703460 0.85 MRGPRX1 (0.52) MTNR1AKDM4EALDH1A1MRGPRX1MEN1
SCHEMBL26607683 0.84 MTNR1A (0.52) MTNR1AKDM4EHSD17B10ALDH1A1MRGPRX1
SCHEMBL30634364 0.84 MTNR1A (0.52) MTNR1AKDM4EHSD17B10ALDH1A1MRGPRX1
SCHEMBL7431136 0.80 MRGPRX1 (0.48) MTNR1AKDM4EALDH1A1MRGPRX1POLB
SCHEMBL4864450 0.80 ALDH1A1 (0.49) MTNR1AKDM4EALDH1A1MRGPRX1POLB
SCHEMBL30317135 0.79 MRGPRX1 (0.46) MTNR1AKDM4EALDH1A1MRGPRX1ABCB1
SCHEMBL7949833 0.79 MRGPRX1 (0.46) MTNR1AKDM4EALDH1A1MRGPRX1ABCB1
SCHEMBL10813137 0.79 MTNR1B (0.55) MTNR1AKDM4EHSD17B10ALDH1A1ALOX15
SCHEMBL10800257 0.79 MRGPRX1 (0.47) MTNR1AKDM4EALDH1A1MRGPRX1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240140888-A1 COMPOSITION COMPRISING AN ALKANE AND AN OXOESTER BIOSYNTHIS (FR) 2024-05-02 US claimed
EP-4321651-A1 COMPOSITION COMPRISING AN ALKANE AND AN OXO ESTER Biosynthis (FR) 2024-02-14 EP claimed
EP-4387582-A1 METHOD FOR INHIBITING CRYSTALLISATION Biosynthis (FR) 2024-06-26 EP disclosed
CN-112203633-B Cosmetic vehicle comprising a C8-C10 alkane and a C > =11 alkane 碧昂赛恩斯公司 2024-06-18 CN disclosed
US-20240158719-A1 METHOD FOR FRACTIONATING A SHEA EXTRACT BIOSYNTHIS (FR) 2024-05-16 US disclosed
US-20240140888-A1 COMPOSITION COMPRISING AN ALKANE AND AN OXOESTER BIOSYNTHIS (FR) 2024-05-02 US disclosed
CN-117940101-A Method for inhibiting crystallization 碧昂赛恩斯公司 2024-04-26 CN disclosed
EP-4321651-A1 COMPOSITION COMPRISING AN ALKANE AND AN OXO ESTER Biosynthis (FR) 2024-02-14 EP disclosed
EP-4305134-A1 METHOD OF FRACTIONATING A SHEA EXTRACT Biosynthis (FR) 2024-01-17 EP disclosed
WO-2023194511-A1 COMPOSITION FOR THE COSMETIC TREATMENT OF KERATIN FIBERS BIOSYNTHIS (FR) 2023-10-12 WO disclosed
WO-2023166198-A1 EYE MAKEUP COMPOSITION BASED ON A VOLATILE MIXTURE OF ALKANES BIOSYNTHIS (FR) 2023-09-07 WO disclosed
US-7405234-B2 Bicyclic modulators of androgen receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2008-07-29 US disclosed
US-20080108649-A1 BICYCLIC MODULATORS OF ANDROGEN RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-08 US disclosed
US-20080108649-A1 BICYCLIC MODULATORS OF ANDROGEN RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-08 US disclosed
US-20080108649-A1 BICYCLIC MODULATORS OF ANDROGEN RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-08 US disclosed
EP-1506178-A4 BICYCLIC MODULATORS OF ANDROGEN RECEPTOR FUNCTION BRISTOL MYERS SQUIBB CO (US) 2006-05-24 EP disclosed
EP-1506178-A2 BICYCLIC MODULATORS OF ANDROGEN RECEPTOR FUNCTION Bristol-Myers Squibb Company (US) 2005-02-16 EP disclosed
US-20040181064-A1 Bicyclic modulators of androgen receptor function BRISTOL-MYERS SQUIBB COMPANY 2004-09-16 US disclosed
US-20040019063-A1 Bicyclic modulators of androgen receptor function BRISTOL-MYERS SQUIBB COMPANY 2004-01-29 US disclosed
WO-2003096980-A2 BICYCLIC MODULATORS OF ANDROGEN RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2003-11-27 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 (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-20040019063-A1 Bicyclic modulators of androgen receptor function AR, NR5A1, ESRRA MTNR1A 100/4885KDM4E 1161/4885HSD17B10 116/4885
US-20240140888-A1 COMPOSITION COMPRISING AN ALKANE AND AN OXOESTER ALKBH2, ABHD12, FAAH2 MTNR1A 1550/4885KDM4E 2753/4885HSD17B10 568/4885
US-20040181064-A1 Bicyclic modulators of androgen receptor function AR, NR5A1, ESRRA MTNR1A 109/4885KDM4E 1539/4885HSD17B10 133/4885
US-20080108649-A1 BICYCLIC MODULATORS OF ANDROGEN RECEPTOR FUNCTION AR, ESRRA, SHBG MTNR1A 93/4885KDM4E 1108/4885HSD17B10 209/4885

“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.