SCHEMBL3767391

SCHEMBL3767391

Fc1cccc(C(=Cc2ccc(Cl)cc2)CCl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.50
PTGS2 P35354 2/20 0.50
RELA Q04206 1/20 0.46
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
ALDH1A1 P00352 3/20 0.41
TSHR P16473 2/20 0.41
PKM P14618 1/20 0.41
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
GRIN2B Q13224 1/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
MAPT P10636 2/20 0.38
MGLL Q99685 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL2920260 1.00 PTGS1 (0.50) PTGS1PTGS2RELANPC1RAB9A
SCHEMBL2925552 0.91 PTGS1 (0.52) PTGS1PTGS2RELANPC1RAB9A
SCHEMBL3765796 0.91 PTGS1 (0.52) PTGS1PTGS2RELANPC1RAB9A
SCHEMBL3766762 0.87 PTGS1 (0.49) PTGS1PTGS2NPC1RAB9ASMN1; SMN2
SCHEMBL2918837 0.87 PTGS1 (0.49) PTGS1PTGS2NPC1RAB9ASMN1; SMN2
SCHEMBL3660987 0.86 ALDH1A1 (0.43) PTGS1PTGS2RELAALDH1A1HTT
SCHEMBL3777037 0.86 ALDH1A1 (0.43) PTGS1PTGS2RELAALDH1A1HTT
SCHEMBL22501039 0.80 CYP19A1 (0.48) PTGS1PTGS2CES2CES1CYP19A1
SCHEMBL22501036 0.80 CYP19A1 (0.48) PTGS1PTGS2CES2CES1CYP19A1
SCHEMBL2293797 0.78 NPC1 (0.50) PTGS1PTGS2NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100311581-A1 Azolylmethyloxiranes, use Thereof and Agents Containing the Same BASF SE (DE) 2010-12-09 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-20100311581-A1 Azolylmethyloxiranes, use Thereof and Agents Containing the Same XDH, DAO, DHODH PTGS1 262/4885PTGS2 369/4885RELA 2736/4885

“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.