SCHEMBL10088935

SCHEMBL10088935

Cc1ccccc1-c1ccc(CO)cc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 4/20 0.47
S1PR1 P21453 5/20 0.43
AR P10275 1/20 0.41
TACR1 P25103 2/20 0.40
KIF11 P52732 1/20 0.40
CHEK1 O14757 1/20 0.37
GPBAR1 Q8TDU6 2/20 0.37
GLA P06280 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.37
TRPA1 O75762 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
HSD11B1 P28845 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36

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
SCHEMBL27904637 0.82 PSEN1 (0.48) S1PR1TACR1
SCHEMBL10088552 0.81 PPARG (0.44) PDK2S1PR1CHEK1GAATSHR
SCHEMBL3898700 0.80 PDK2 (0.47) PDK2S1PR1KIF11
SCHEMBL13350024 0.80 CYP2A6 (0.46) PDK2S1PR1ARKIF11GLA
SCHEMBL16953204 0.78 KIF11 (0.47) PDK2S1PR1ARKIF11
SCHEMBL320159 0.77 S1PR1 (0.67) S1PR1
SCHEMBL13652385 0.77 PDK2 (0.42) PDK2S1PR1TACR1KIF11CHEK1
SCHEMBL19116592 0.77 FYN (0.44) PDK2S1PR1KIF11TRPA1AKR1C3
SCHEMBL5541462 0.75 HSD11B1 (0.55) S1PR1ARTRPA1TRPM8TRPV1
SCHEMBL319696 0.75 S1PR1 (0.64) S1PR1

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-20120178735-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF ASTELLAS PHARMA INC. (JP) 2012-07-12 US disclosed
US-8193378-B2 2H-chromene compound and derivative thereof ASTELLAS PHARMA INC. (JP) 2012-06-05 US disclosed
US-20110230463-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF ASTELLAS PHARMA INC. (JP) 2011-09-22 US disclosed
WO-2010064707-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF アステラス製薬株式会社 (JP) 2010-06-10 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-20110230463-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF S1PR1, S1PR2, CCR1 PDK2 955/4885S1PR1 1/4885AR 559/4885
US-20120178735-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF S1PR1, S1PR2, S1PR4 PDK2 549/4885S1PR1 1/4885AR 398/4885

“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.