SCHEMBL14930286

SCHEMBL14930286

CCCCOc1cc(C(=O)OC)ccc1Br

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.52
SMPD1 P17405 4/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
NPC1 O15118 1/20 0.49
CASP1 P29466 1/20 0.49
RAB9A P51151 1/20 0.49
MAPT P10636 1/20 0.49
MGLL Q99685 3/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
TSHR P16473 1/20 0.47
SLC6A2 P23975 1/20 0.47
SCN1A P35498 1/20 0.47
SLC6A3 Q01959 1/20 0.47
KCNH2 Q12809 1/20 0.47
HIF1A Q16665 1/20 0.47
SCN2A Q99250 1/20 0.47

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
SCHEMBL3901339 0.93 MAPT (0.48) ESR1SMPD1L3MBTL1KDM4EALDH1A1
SCHEMBL2312923 0.88 ESR1 (0.68) ESR1KDM4EHPGDNPC1RAB9A
SCHEMBL10269561 0.88 THRA (0.56) ESR1SMPD1L3MBTL1KDM4EALDH1A1
SCHEMBL2934404 0.88 KDM4E (0.46) SMPD1L3MBTL1KDM4EALDH1A1RAB9A
SCHEMBL2802839 0.88 CYP4A11 (0.49) SMPD1L3MBTL1ALDH1A1RAB9AMAPT
SCHEMBL2804095 0.87 NOTUM (0.48) SMPD1L3MBTL1RAB9AMAPTNOTUM
SCHEMBL4913133 0.87 NOTUM (0.47) SMPD1L3MBTL1KDM4EALDH1A1HPGD
SCHEMBL1344274 0.87 MAPT (0.50) SMPD1L3MBTL1KDM4EALDH1A1HPGD
SCHEMBL15994552 0.87 NOTUM (0.47) SMPD1L3MBTL1KDM4EALDH1A1HPGD
SCHEMBL733132 0.86 TSHR (0.50) L3MBTL1ALDH1A1MAPTTSHRNOTUM

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
EP-2594554-A1 BIARYL AMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Dainippon Sumitomo Pharma Co., Ltd. (JP) 2013-05-22 EP disclosed
US-20130116227-A1 BIARYL AMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-05-09 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-20130116227-A1 BIARYL AMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF MC2R, NR3C2, REN ESR1 545/4885SMPD1 4201/4885L3MBTL1 3290/4885

“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.