SCHEMBL15832195

SCHEMBL15832195

C=C(NCC(=O)CCC)NCc1cccc(C(=C)CC)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 1/20 0.40
▸ PPARG P37231 1/20 0.38
▸ NR1H4 Q96RI1 1/20 0.38
▸ MMP13 P45452 1/20 0.38
▸ HDAC3 O15379 1/20 0.37
▸ HDAC4 P56524 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC7 Q8WUI4 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ HDAC10 Q969S8 1/20 0.37
▸ HDAC11 Q96DB2 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ HDAC9 Q9UKV0 1/20 0.37
▸ HDAC5 Q9UQL6 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ EPHX2 P34913 2/20 0.37
▸ LMNA P02545 1/20 0.37

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
SCHEMBL15832143 0.75 PPID (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14452916 0.68 PRSS1 (0.52) —
SCHEMBL15672583 0.68 NR1H4 (0.59) NR1H4MEP1B
SCHEMBL15832154 0.68 SUCNR1 (0.39) ROCK2CYP3A4CYP2C19EPHX2
SCHEMBL2260448 0.67 SMN1; SMN2 (0.38) L3MBTL1HPGDMAOAMAOB
SCHEMBL17549817 0.67 CYP3A4 (0.68) CYP3A4CYP2C19L3MBTL1EPHX2HPGD
SCHEMBL23864368 0.66 MAOA (0.41) HDAC8HDAC6L3MBTL1HPGDMAOA
SCHEMBL18809537 0.65 KMT2A (0.49) L3MBTL1HPGD
SCHEMBL9415673 0.65 HDAC1 (0.47) PPARGNR1H4MMP13HDAC3HDAC4
SCHEMBL27509235 0.64 LPL (0.45) PPARGHPGD

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-20140179687-A1 New Inhibitors of Cyclophilins and Uses Thereof INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2014-06-26 — — 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-20140179687-A1 New Inhibitors of Cyclophilins and Uses Thereof FKBP3, FKBP4, FKBP5 ROCK2 3142/4885PPARG 3041/4885NR1H4 11/4885

“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.

Send feedback