SCHEMBL642720

SCHEMBL642720

CCCCCCCCOc1ccc(-c2ccc(C(=O)N(OC(=O)C3(OCCCCCCCC)C=CC(c4ccccc4)=CC3)c3ccc(C(F)(F)P(=O)(OCC)OCC)cc3)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.35
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PLK1 P53350 1/20 0.33
HDAC3 O15379 2/20 0.32
HDAC4 P56524 2/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC7 Q8WUI4 2/20 0.32

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
SCHEMBL643452 0.80 RARB (0.44) RARBLMNASMN1; SMN2PLK1HDAC3
SCHEMBL643774 0.75 MCHR1 (0.48) RARBMAPTRAB9AKDM4EPLK1
SCHEMBL642215 0.73 PTPN5 (0.35) CYP2D6
SCHEMBL641511 0.73 RARB (0.43) RARBLMNASMN1; SMN2TP53PPARG
SCHEMBL642231 0.72
SCHEMBL641454 0.72 MCHR1 (0.48) RARBMAPTRAB9AKDM4EPLK1
SCHEMBL641470 0.71 RARB (0.47) RARBLMNASMN1; SMN2PLK1HDAC3
SCHEMBL10580808 0.71 FAAH (0.38) RARBHDAC3HDAC4HDAC1HDAC7
SCHEMBL8082004 0.70 RARB (0.48) RARBHTTHDAC3HDAC4HDAC1
SCHEMBL8402402 0.70 RARB (0.48) RARBHTTHDAC3HDAC4HDAC1

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-8119617-B2 aSMase inhibitors NOVARTIS AG (CH) 2012-02-21 US disclosed
US-20100022482-A1 aSMase inhibitors NOVARTIS AG (CH) 2010-01-28 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-20100022482-A1 aSMase inhibitors SMPD1, SMPD3, SMPD2 RARB 4739/4885LMNA 1589/4885CYP1A2 281/4885

“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.