SCHEMBL1906196

SCHEMBL1906196

CC(C)(C)c1ccc2ccccc2c1-c1c(C(C)(C)C)ccc2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.48
ALDH1A1 P00352 5/20 0.48
TSHR P16473 4/20 0.48
CYP2A6 P11509 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
MAPT P10636 2/20 0.47
HPRT1 P00492 1/20 0.44
CYP1A2 P05177 2/20 0.41
HIF1A Q16665 3/20 0.41
CYP1B1 Q16678 1/20 0.41
WDR5 P61964 1/20 0.41
HPGD P15428 3/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
DNMT1 P26358 1/20 0.39
ATM Q13315 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
GLA P06280 1/20 0.39

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
SCHEMBL26259338 0.82 IMPDH2 (0.41) HSD17B10ALDH1A1TSHRCYP2A6TDP1
SCHEMBL26259346 0.80 ALDH1A1 (0.41) HSD17B10ALDH1A1TSHRCYP2A6TDP1
SCHEMBL26259342 0.80 ACHE (0.41) HSD17B10ALDH1A1TSHRCYP2A6TDP1
SCHEMBL2873052 0.80 TSHR (0.56) HSD17B10ALDH1A1TSHRCYP2A6TDP1
SCHEMBL4124570 0.80 HSD17B10 (0.46) HSD17B10ALDH1A1TSHRCYP2A6TDP1
SCHEMBL2220947 0.78 HSD17B10 (0.59) HSD17B10ALDH1A1TSHRCYP2A6TDP1
SCHEMBL19798864 0.78 HSD17B10 (0.44) HSD17B10ALDH1A1TSHRCYP2A6TDP1
SCHEMBL15910481 0.78 HSD17B10 (0.44) HSD17B10ALDH1A1TSHRCYP2A6TDP1
SCHEMBL9624177 0.78 HSD17B10 (0.44) HSD17B10ALDH1A1TSHRCYP2A6TDP1
SCHEMBL7529007 0.78 HSD17B10 (0.44) HSD17B10ALDH1A1TSHRCYP2A6TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2489660-A1 Methods for making central nervous system agents that are TRPV1 antagonists Abbott Laboratories (US) 2012-08-22 EP disclosed
US-8232411-B2 Methods for making central nervous system agents that are TRPV1 antagonists ABBOTT LABORATORIES (US) 2012-07-31 US disclosed
EP-2323989-A2 METHODS FOR MAKING CENTRAL NERVOUS SYSTEM AGENTS THAT ARE TRPV1 ANTAGONISTS Abbott Laboratories (US) 2011-05-25 EP disclosed
US-20100016611-A1 METHODS FOR MAKING CENTRAL NERVOUS SYSTEM AGENTS THAT ARE TRPV1 ANTAGONISTS ABBOTT LABORATORIES (US) 2010-01-21 US disclosed
WO-2009117626-A2 METHODS FOR MAKING CENTRAL NERVOUS SYSTEM AGENTS THAT ARE TRPV1 ANTAGONISTS ABBOTT LABORATORIES (US) 2009-09-24 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 (1 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-20100016611-A1 METHODS FOR MAKING CENTRAL NERVOUS SYSTEM AGENTS THAT ARE TRPV1 ANTAGONISTS TRPV1, TRPV2, OPRL1 HSD17B10 2358/4885ALDH1A1 499/4885TSHR 4186/4885

“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.