SCHEMBL2749709

SCHEMBL2749709

COC(=O)Oc1c(C)ccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.46
NCEH1 Q6PIU2 8/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2A6 P11509 1/20 0.44
TSHR P16473 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
TAS1R2 Q8TE23 1/20 0.42
ALDH1A1 P00352 1/20 0.41
PGR P06401 1/20 0.41
GAA P10253 1/20 0.41
PTGS1 P23219 1/20 0.41
MAPK1 P28482 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 2/20 0.41
LMNA P02545 1/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41

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
SCHEMBL7942009 0.83 TSHR (0.47) HSD17B10NCEH1CYP1A2CYP2A6TSHR
SCHEMBL453345 0.83 KDM4E (0.58) HSD17B10NCEH1CYP1A2CYP2A6TSHR
SCHEMBL29356413 0.83 KDM4E (0.58) HSD17B10NCEH1CYP1A2CYP2A6TSHR
SCHEMBL11867995 0.81 TSHR (0.46) HSD17B10NCEH1CYP1A2CYP2A6TSHR
SCHEMBL6929061 0.81 TSHR (0.46) HSD17B10NCEH1CYP1A2CYP2A6TSHR
SCHEMBL23271769 0.81 HSD17B10 (0.49) HSD17B10CYP1A2ALDH1A1PGRGAA
SCHEMBL6938277 0.80 NCEH1 (0.52) HSD17B10NCEH1ALDH1A1PGRGAA
SCHEMBL11042128 0.80 TSHR (0.44) HSD17B10NCEH1CYP1A2CYP2A6TSHR
SCHEMBL11042135 0.80 TSHR (0.44) HSD17B10NCEH1CYP1A2CYP2A6TSHR
SCHEMBL14937495 0.79 KMT2A (0.50) HSD17B10CYP1A2CYP2A6TSHRALDH1A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8350060-B2 2-amino-bicyclo[3.1.0] hexane-2, 6-dicarboxylic ester derivative Taisho Pharamceutical Co., Ltd. (JP) 2013-01-08 US disclosed
US-8258133-B2 2-amino-bicyclo[3.1.0]hexane-2, 6-dicarboxylic ester derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-09-04 US disclosed
US-20120028982-A1 2-AMINO-BICYCLO[3.1.0]HEXANE-2, 6-DICARBOXYLIC ESTER DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-02-02 US disclosed
US-20120004232-A1 2-AMINO-BICYCLO(3.1.0) HEXANE-2, 6-DICARBOXYLIC ESTER DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-01-05 US disclosed
US-6045590-A REPLACING 2-METHYL-1-NAPHTHOL WITH A MOLAR EQUIVALENT OF A 1-(ALKOXYCARBONYLOXY OR ALKYLCARBONYLOXY),2-METHYL-NAPHTHYLENE OR 2-METHYL,4-((HYDROXY)(ALKOXY)ALKOXY)-NAPHTH-1-OL; STORAGE STABLE HAIR DYES PRODUCE SAME COLOR BRISTOL-MYERS SQUIBB CO. (US) 2000-04-04 US disclosed
US-5672180-A USED IN OXIDATIVE HAIR DYE SYSTEMS CLAIROL INCORPORATED (US) 1997-09-30 US disclosed
US-5529583-A HAIR DYE CLAIROL INCORPORATED (US) 1996-06-25 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 (2 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-20120028982-A1 2-AMINO-BICYCLO[3.1.0]HEXANE-2, 6-DICARBOXYLIC ESTER DERIVATIVE GRIK4, GRIN2D, GRIN2C HSD17B10 551/4885NCEH1 895/4885CYP1A2 993/4885
US-20120004232-A1 2-AMINO-BICYCLO(3.1.0) HEXANE-2, 6-DICARBOXYLIC ESTER DERIVATIVE GRIK4, GRIN2D, GRIN2C HSD17B10 522/4885NCEH1 925/4885CYP1A2 1040/4885

“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.