SCHEMBL257531

SCHEMBL257531

COc1cc(C(=O)c2ccccc2)cc(C)c1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.54
CYP1A2 P05177 2/20 0.54
CYP2C19 P33261 2/20 0.54
CYP2D6 P10635 1/20 0.54
CNR2 P34972 2/20 0.53
MAPT P10636 3/20 0.50
CYP3A4 P08684 2/20 0.50
KDM4E B2RXH2 2/20 0.50
HSD17B10 Q99714 2/20 0.50
LMNA P02545 2/20 0.50
RECQL P46063 1/20 0.50
PTGS1 P23219 1/20 0.49
PTGS2 P35354 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
TUBB4A P04350 2/20 0.49
TUBB P07437 2/20 0.49
TUBA3C P0DPH7 2/20 0.49
TUBA1B P68363 2/20 0.49
TUBA4A P68366 2/20 0.49
TUBB4B P68371 2/20 0.49

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
SCHEMBL9323609 0.84 ALDH1A1 (0.61) HPGDCNR2MAPTHSD17B10ATM
SCHEMBL257510 0.81 CYP1A2 (0.64) HPGDCYP1A2CYP2C19CYP2D6CNR2
SCHEMBL9360017 0.81 CYP1A2 (0.69) HPGDCYP1A2CYP2C19CYP2D6MAPT
SCHEMBL786726 0.81 HSD17B1 (0.46) CYP1A2CYP2C19CNR2CYP3A4RXFP1
SCHEMBL9343741 0.81 CA12 (0.63) HPGDCYP1A2CYP2C19CYP2D6CNR2
SCHEMBL2450750 0.81 TUBB4A (0.72) HPGDCYP1A2CYP2C19CYP2D6TUBB4A
SCHEMBL16260620 0.80 CA12 (0.62) HPGDCNR2MAPTCYP3A4HSD17B10
SCHEMBL12677654 0.80 PDE4A (0.45) HPGDCYP1A2CYP2C19CYP2D6MAPT
SCHEMBL12574135 0.78 CYP1A2 (0.56) HPGDCYP1A2CYP2C19CYP2D6CYP3A4
SCHEMBL1333620 0.77 CYP1A2 (0.81) HPGDCYP1A2CYP2C19CYP2D6MAPT

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-8895552-B2 Cyclic amide derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2014-11-25 US disclosed
US-20130217692-A1 CYCLIC AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-08-22 US disclosed
EP-2612848-A1 CYCLIC AMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2013-07-10 EP disclosed
WO-2012029942-A1 CYCLIC AMIDE DERIVATIVE 大日本住友製薬株式会社 (JP) 2012-03-08 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 (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-20130217692-A1 CYCLIC AMIDE DERIVATIVE HDAC10, H1-10, H1-0 HPGD 3711/4885CYP1A2 75/4885CYP2C19 206/4885

“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.