SCHEMBL624931

SCHEMBL624931

O=CC1(c2ccccc2OC(F)(F)F)CCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.35
DDB1 Q16531 2/20 0.34
CRBN Q96SW2 2/20 0.34
BACE1 P56817 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
SLC6A9 P48067 1/20 0.34
HSD11B1 P28845 1/20 0.33
SCN9A Q15858 1/20 0.33
P2RY1 P47900 1/20 0.32
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
S1PR1 P21453 2/20 0.31

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
SCHEMBL27907663 0.76 HDAC4 (0.40) GAADDB1CRBNBACE1HDAC6
SCHEMBL983451 0.76 HDAC4 (0.49) GAAHDAC6HSD11B1
SCHEMBL18769575 0.76 BACE1 (0.38) BACE1HDAC6HSD11B1
SCHEMBL19469649 0.75 AKR1C1 (0.46) GAASLC6A9P2RY1RXRARXRB
SCHEMBL11919523 0.74 SIGMAR1 (0.44) HDAC6ALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL18742745 0.74 BACE1 (0.38) BACE1
SCHEMBL18742375 0.74 BRS3 (0.40) GAABACE1SLC6A9HSD11B1SCN9A
SCHEMBL29913527 0.73 HDAC4 (0.45) HDAC6HSD11B1
SCHEMBL625059 0.73 HDAC4 (0.45) HDAC6HSD11B1
SCHEMBL624675 0.72 BDKRB1 (0.44) GAADDB1CRBNBACE1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9156788-B2 TRPV3 modulators ABBVIE INC. (US) 2015-10-13 US disclosed
US-8772500-B2 TRPV3 modulators ABBVIE INC. (US) 2014-07-08 US disclosed
EP-2603490-A1 NOVEL TRPV3 MODULATORS AbbVie Inc. (US) 2013-06-19 EP disclosed
US-20130150409-A1 NOVEL TRPV3 MODULATORS ABBVIE INC. (US) 2013-06-13 US disclosed
CN-103140476-A Novel trpv3 modulators ABBOTT LAB 2013-06-05 CN disclosed
US-20130131036-A1 NOVEL TRPV3 MODULATORS ABBVIE INC. (US) 2013-05-23 US disclosed
WO-2013062966-A2 NOVEL TRPV3 MODULATORS ABBVIE INC. (US) 2013-05-02 WO disclosed
WO-2012019315-A1 NOVEL TRPV3 MODULATORS ABBOTT LABORATORIES (US) 2012-02-16 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 (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-20130131036-A1 NOVEL TRPV3 MODULATORS TRPV3, TRPV4, TRPV5 GAA 3742/4885DDB1 2940/4885CRBN 4710/4885
US-20130150409-A1 NOVEL TRPV3 MODULATORS TRPV3, TRPV4, TRPV5 GAA 3868/4885DDB1 2963/4885CRBN 4765/4885

“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.