SCHEMBL17036733

SCHEMBL17036733

CC(C)(C)Oc1cccc(F)n1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 1/20 0.40
MAPT P10636 2/20 0.37
FFAR4 Q5NUL3 1/20 0.36
KCNH2 Q12809 1/20 0.34
ALOX5AP P20292 1/20 0.33

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
SCHEMBL2522651 0.84 TRPV3 (0.45) TRPV3FFAR4KCNH2ALOX5AP
SCHEMBL4452048 0.79 HTR7 (0.47) TRPV3FFAR4KCNH2ALOX5AP
SCHEMBL14545220 0.77 CCR1 (0.44) TRPV3KCNH2ALOX5AP
SCHEMBL13020000 0.76 IDH1 (0.42) TRPV3
SCHEMBL30656311 0.76
SCHEMBL6792102 0.76
SCHEMBL7898210 0.75 CYP3A4 (0.42) TRPV3FFAR4KCNH2ALOX5AP
SCHEMBL22550725 0.75 TRPV3 (0.40) TRPV3FFAR4KCNH2ALOX5AP
SCHEMBL7886380 0.75 TRPV3 (0.40) TRPV3FFAR4KCNH2ALOX5AP
SCHEMBL2370822 0.75 NUDT1 (0.50) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12037324-B2 Biarylmethyl heterocycles BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-16 US disclosed
US-12037324-B2 Biarylmethyl heterocycles BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-16 US disclosed
US-20230045357-A1 BIARYLMETHYL HETEROCYCLES Université de Montréal (CA) 2023-02-09 US disclosed
US-20190202808-A1 BIARYLMETHYL HETEROCYCLES BRISTOL-MYERS SQUIBB COMPANY 2019-07-04 US disclosed
US-20180022766-A1 ETHER COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2018-01-25 US disclosed
US-20180022766-A1 ETHER COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2018-01-25 US disclosed
US-9732104-B2 Ether compounds for treatment of complement mediated disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-08-15 US disclosed
US-9732104-B2 Ether compounds for treatment of complement mediated disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-08-15 US disclosed
US-20160362433-A1 ETHER COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2016-12-15 US disclosed
US-20150239920-A1 Ether Compounds for Treatment of Complement Mediated Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2015-08-27 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 (6 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-20160362433-A1 ETHER COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS CFD, C9, TFPI TRPV3 4017/4885MAPT 3995/4885FFAR4 2142/4885
US-20190202808-A1 BIARYLMETHYL HETEROCYCLES ARRB1, ADRB2, ADRB1 TRPV3 445/4885MAPT 3425/4885FFAR4 261/4885
US-20180022766-A1 ETHER COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS TFPI, CFD, C9 TRPV3 3846/4885MAPT 3823/4885FFAR4 1120/4885
US-20150239920-A1 Ether Compounds for Treatment of Complement Mediated Disorders TFPI, CFD, C9 TRPV3 3846/4885MAPT 3823/4885FFAR4 1120/4885
US-12037324-B2 Biarylmethyl heterocycles ARRB1, ADRB2, ADRB1 TRPV3 445/4885MAPT 3425/4885FFAR4 261/4885
US-20230045357-A1 BIARYLMETHYL HETEROCYCLES ARRB1, ADRB2, ADRB1 TRPV3 445/4885MAPT 3425/4885FFAR4 261/4885

“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.