SCHEMBL2443337

SCHEMBL2443337

C[C@H]1C[C]c2ccc(C(C)(C)C)cc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.34
HPGD P15428 2/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
RECQL P46063 1/20 0.32
KMT2A Q03164 1/20 0.32
KIF11 P52732 2/20 0.32
HTR2A P28223 3/20 0.30
HTR2C P28335 3/20 0.30
HTR2B P41595 3/20 0.30
TSHR P16473 1/20 0.30
NPC1 O15118 1/20 0.30
PLA2G1B P04054 1/20 0.30
NFKB1 P19838 1/20 0.30
CASP3 P42574 1/20 0.30

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
SCHEMBL2445329 1.00 ALDH1A1 (0.34) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL29171133 0.69 HTR2C (0.47) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL24648980 0.66 AR (0.40) KIF11HTR2AHTR2CHTR2B
SCHEMBL2445328 0.66 ALDH1A1 (0.35) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL2443334 0.66 ALDH1A1 (0.35) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL23119102 0.66 TRPV1 (0.38) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL9754019 0.65 ALDH1A1 (0.44) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL13714962 0.64 CYP19A1 (0.44) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL18531165 0.64 CYP19A1 (0.44) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL6504227 0.63 ALDH1A1 (0.44) ALDH1A1HPGDALOX15HSD17B10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8487116-B2 Fused compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBVIE INC. (US) 2013-07-16 US disclosed
US-20120190845-A1 FUSED COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBVIE INC. 2012-07-26 US disclosed
US-8071762-B2 Fused compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBOTT LABORATORIES (US) 2011-12-06 US disclosed
US-8026256-B2 Fused compounds that inhibit vanilloid subtype 1 (VR1) receptor ABBOTT LABORATORIES (US) 2011-09-27 US disclosed
EP-2017265-A1 Fused compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor Abbott Laboratories (US) 2009-01-21 EP disclosed
US-20080287676-A1 FUSED COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LABORATORIES (US) 2008-11-20 US disclosed
EP-1658269-B1 FUSED COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LAB (US) 2008-10-22 EP disclosed
US-7375126-B2 Fused compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBOTT LABORATORIES (US) 2008-05-20 US disclosed
US-7015233-B2 Fused compounds that inhibit vanilloid subtype 1 (VR1) receptor ABBOTT LABORATORIES (US) 2006-03-21 US disclosed
US-20060035934-A1 Fused compounds that inhibit vanilloid subtype 1 (VR1) receptor ABBVIE INC. 2006-02-16 US disclosed
US-20050043351-A1 Fused compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBVIE INC. 2005-02-24 US disclosed
US-20040254188-A1 Fused compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBVIE INC. 2004-12-16 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 (5 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-20080287676-A1 FUSED COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ARRB1, TRPV1, TRPV5 ALDH1A1 1901/4885HPGD 2385/4885ALOX15 1376/4885
US-20060035934-A1 Fused compounds that inhibit vanilloid subtype 1 (VR1) receptor TRPV1, TRPV2, OPRL1 ALDH1A1 385/4885HPGD 557/4885ALOX15 500/4885
US-20040254188-A1 Fused compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor TRPV1, OPRL1, TRPV2 ALDH1A1 305/4885HPGD 603/4885ALOX15 482/4885
US-20050043351-A1 Fused compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ARRB1, TRPV1, TRPV5 ALDH1A1 1865/4885HPGD 2513/4885ALOX15 1506/4885
US-20120190845-A1 FUSED COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ARRB1, TRPV1, TRPV5 ALDH1A1 1901/4885HPGD 2385/4885ALOX15 1376/4885

“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.