SCHEMBL12814845

SCHEMBL12814845

CCCCC1=C(C(c2cccc(C)c2)c2cccc(C)c2)CC=C1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.36
GAA P10253 2/20 0.34
MGAM O43451 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
ACP3 P15309 1/20 0.33
MAPT P10636 1/20 0.32
HTR2A P28223 1/20 0.31
PLAT P00750 1/20 0.31
AOC3 Q16853 1/20 0.31
HTT P42858 2/20 0.30
KMT2A Q03164 2/20 0.30
NPSR1 Q6W5P4 2/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TAAR1 Q96RJ0 1/20 0.30
KCNQ2 O43526 1/20 0.30

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
SCHEMBL12814808 0.92 GAA (0.35) CYP19A1GAAMGAMSIMGAM2
SCHEMBL12815203 0.86 MGAM (0.36) CYP19A1GAAMGAMSIMGAM2
SCHEMBL16458458 0.86 NOS2 (0.31)
SCHEMBL12814501 0.86 HTR2A (0.39) CYP19A1MAPTHTR2AALDH1A1
SCHEMBL12815106 0.80 ACP3 (0.36) CYP19A1GAAMGAMSIMGAM2
SCHEMBL12815468 0.77
SCHEMBL12814410 0.76 MGAM (0.40) CYP19A1GAAMGAMSIMGAM2
SCHEMBL12814411 0.76 HTR2A (0.34) CYP19A1HTR2AALDH1A1TAAR1
SCHEMBL12816272 0.74 HDAC4 (0.33) GAAMGAMSIMGAM2ACP3
Hydrochloric Acid SCHEMBL16458622 0.74 MGAM (0.35) CYP19A1GAAMGAMSIMGAM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2691357-A1 METHOD FOR PRODUCING 1-HEXENE Sumitomo Chemical Company Limited (JP) 2014-02-05 EP disclosed
US-20140012056-A1 METHOD FOR PRODUCING 1-HEXENE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-01-09 US disclosed
WO-2012133937-A1 METHOD FOR PRODUCING 1-HEXENE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-04 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-20140012056-A1 METHOD FOR PRODUCING 1-HEXENE AP2A1, AP1M1, ME1 CYP19A1 93/4885GAA 335/4885MGAM 154/4885

“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.