SCHEMBL2609366

SCHEMBL2609366

CC(C)c1cccc(-c2ccc(Cl)cc2F)n1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.45
HTR1B P28222 1/20 0.45
HTR2B P41595 1/20 0.45
GPR65 Q8IYL9 1/20 0.45
EGLN2 Q96KS0 1/20 0.39
ACP1 P24666 1/20 0.38
GRM2 Q14416 5/20 0.36
HSD11B1 P28845 2/20 0.36
PTGES O14684 1/20 0.36
PTGER1 P34995 1/20 0.35
CYP1B1 Q16678 1/20 0.35
CTSA P10619 1/20 0.35
CYP2C9 P11712 1/20 0.34
MAPK14 Q16539 1/20 0.34
GRIN2B Q13224 1/20 0.34
TGFBR1 P36897 1/20 0.34

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
SCHEMBL18015820 0.89 HTR1B (0.43) KMOHTR1BHTR2BGPR65HSD11B1
SCHEMBL2609356 0.84 KMO (0.42) KMOHTR1BHTR2BGPR65CTSA
SCHEMBL2609331 0.84 HSP90AA1 (0.45) HSD11B1
SCHEMBL2615815 0.80 CCR1 (0.48) KMOEGLN2ACP1GRM2HSD11B1
SCHEMBL2609340 0.79 HSP90AA1 (0.50) CTSA
SCHEMBL16629558 0.78 CTSA (0.41) HTR1BHTR2BGPR65CTSATGFBR1
SCHEMBL2609378 0.77 KMO (0.40) KMOHTR1BHTR2BGPR65EGLN2
SCHEMBL16629552 0.76 HSD17B14 (0.48) KMOCTSA
SCHEMBL18014722 0.75 TGFBR1 (0.37) HTR1BHTR2BGPR65HSD11B1PTGES
SCHEMBL2609354 0.74 CTSA (0.39) HTR1BHTR2BGPR65HSD11B1CTSA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785445-B2 7-phenoxychroman carboxylic acid derivatives ARRAY BIOPHARMA INC. (US) 2014-07-22 US 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 KMO 1493/4885HTR1B 306/4885HTR2B 148/4885

“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.