SCHEMBL2614932

SCHEMBL2614932

COc1ccc(-c2cccc(C)n2)c(OC)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 3/20 0.56
CYP1B1 Q16678 3/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2E1 P05181 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C8 P10632 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2A6 P11509 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP4B1 P13584 1/20 0.56
CYP2B6 P20813 1/20 0.56
CYP3A5 P20815 1/20 0.56
CYP2A7 P20853 1/20 0.56
CYP3A7 P24462 1/20 0.56
CYP2F1 P24903 1/20 0.56
CYP2C18 P33260 1/20 0.56
CYP2C19 P33261 1/20 0.56
CYP2J2 P51589 1/20 0.56
CYP4F2 P78329 1/20 0.56
CYP4F8 P98187 1/20 0.56

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
SCHEMBL17145021 0.90 CYP1A1 (0.62) CYP1A1CYP1B1CYP1A2CYP2E1CYP3A4
SCHEMBL16385409 0.85 CCR1 (0.48) CYP1A1CYP1B1CYP1A2CYP2E1CYP3A4
SCHEMBL12270031 0.85 CCR1 (0.48) CYP1A1CYP1B1CYP1A2CYP2E1CYP3A4
SCHEMBL21083327 0.84 TGFBR1 (0.51) TSHRMEN1NPC1MAPTRAB9A
SCHEMBL17144673 0.84 CYP1A1 (0.56) CYP1A1CYP1B1CYP1A2CYP2E1CYP3A4
SCHEMBL17144653 0.84 CYP1A1 (0.56) CYP1A1CYP1B1CYP1A2CYP2E1CYP3A4
SCHEMBL17144799 0.83 CYP1A1 (0.54) CYP1A1CYP1B1CYP1A2CYP2E1CYP3A4
SCHEMBL17144881 0.83 CYP1A1 (0.54) CYP1A1CYP1B1CYP1A2CYP2E1CYP3A4
SCHEMBL30102581 0.83 CYP1A1 (0.54) CYP1A1CYP1B1CYP1A2CYP2E1CYP3A4
SCHEMBL17144573 0.83 CYP1A1 (0.54) CYP1A1CYP1B1CYP1A2CYP2E1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8912218-B2 Alkylthiazol carbamate derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2014-12-16 US disclosed
US-8785445-B2 7-phenoxychroman carboxylic acid derivatives ARRAY BIOPHARMA INC. (US) 2014-07-22 US disclosed
EP-2344486-B1 ALKYLTHIAZOL CARBAMATE DERIVATIVES, PREPARATION THEREOF AND THEIR USE AS FAAH INHIBITORS SANOFI SA (FR) 2013-03-27 EP disclosed
US-20120101103-A1 7-PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES ARRAY BIOPHARMA INC. (US) 2012-04-26 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 (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-20120101103-A1 7-PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES PTGDR2, PTGDR, HRH2 CYP1A1 159/4885CYP1B1 192/4885CYP1A2 155/4885

“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.