SCHEMBL3376487

SCHEMBL3376487

CCCC[C](CC)NCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.57
POLB P06746 2/20 0.55
HPGD P15428 4/20 0.50
ALOX12 P18054 3/20 0.50
ALDH1A1 P00352 2/20 0.50
FAAH O00519 2/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C19 P33261 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
GAA P10253 4/20 0.49
ALPL P05186 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MAPT P10636 1/20 0.48
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
LTB4R2 Q9NPC1 1/20 0.46

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
SCHEMBL3374406 0.89 CYP3A4 (0.56) EPHX2POLBHPGDALOX12ALDH1A1
SCHEMBL3376541 0.84 EPHX2 (0.58) EPHX2POLBHPGDALOX12ALDH1A1
SCHEMBL27792020 0.84 CYP2C19 (0.49) EPHX2POLBHPGDALOX12ALDH1A1
SCHEMBL4401015 0.79 EPHX2 (0.87) EPHX2POLBHPGDALDH1A1FAAH
SCHEMBL19403145 0.79 EPHX2 (0.57) EPHX2POLBHPGDALOX12ALDH1A1
SCHEMBL3372136 0.76 CYP3A4 (0.57) EPHX2POLBHPGDALOX12ALDH1A1
SCHEMBL1516109 0.74 EPHX2 (0.97) EPHX2POLBHPGDALDH1A1FAAH
SCHEMBL5696750 0.72 EPHX2 (1.00) EPHX2POLBHPGDALDH1A1FAAH
SCHEMBL2524088 0.72 EPHX2 (1.00) EPHX2POLBHPGDALDH1A1FAAH
SCHEMBL5471650 0.72 EPHX2 (1.00) EPHX2POLBHPGDALDH1A1FAAH

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
US-20100324091-A1 Pyrazolone Derivative KOWA COMPANY, LTD. (JP) 2010-12-23 US disclosed
EP-2172458-A1 PYRAZOLONE DERIVATIVE Kowa Company, Ltd. (JP) 2010-04-07 EP 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-20100324091-A1 Pyrazolone Derivative SERPINE1, SERPINC1, TFPI EPHX2 3893/4885POLB 3756/4885HPGD 726/4885

“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.