SCHEMBL3374406

SCHEMBL3374406

CCC[C](CC)NCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.56
CYP2C19 P33261 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
EPHX2 P34913 2/20 0.51
ALOX12 P18054 3/20 0.48
HPGD P15428 2/20 0.48
ALDH1A1 P00352 1/20 0.48
GAA P10253 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALPL P05186 1/20 0.47
KMT2A Q03164 3/20 0.47
POLB P06746 2/20 0.47
MEN1 O00255 2/20 0.47
MAPT P10636 1/20 0.47
RIPK1 Q13546 1/20 0.46
IDO1 P14902 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 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
SCHEMBL3376487 0.89 EPHX2 (0.57) CYP3A4CYP2C19L3MBTL1EPHX2ALOX12
SCHEMBL27792020 0.87 CYP2C19 (0.49) CYP3A4CYP2C19L3MBTL1EPHX2ALOX12
SCHEMBL3372136 0.82 CYP3A4 (0.57) CYP3A4CYP2C19L3MBTL1EPHX2ALOX12
SCHEMBL10936317 0.81 L3MBTL1 (0.49) CYP3A4CYP2C19L3MBTL1EPHX2ALOX12
SCHEMBL23019311 0.77 CYP3A4 (0.56) CYP3A4CYP2C19L3MBTL1EPHX2ALOX12
SCHEMBL770934 0.77 CYP3A4 (0.87) CYP3A4CYP2C19L3MBTL1EPHX2HPGD
SCHEMBL16188288 0.77 ALOX12 (0.59) CYP3A4CYP2C19L3MBTL1EPHX2ALOX12
Hydrochloric Acid SCHEMBL5766130 0.76 CYP3A4 (0.54) CYP3A4CYP2C19L3MBTL1EPHX2ALOX12
SCHEMBL3376541 0.76 EPHX2 (0.58) CYP3A4CYP2C19L3MBTL1EPHX2ALOX12
Oxalic Acid SCHEMBL27880875 0.74 CYP3A4 (0.81) CYP3A4CYP2C19L3MBTL1EPHX2HPGD

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 CYP3A4 710/4885CYP2C19 1060/4885L3MBTL1 2165/4885

“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.