SCHEMBL9918952

SCHEMBL9918952

C=CCOc1ccc(C)cc1N=C=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 2/20 0.38
GAA P10253 1/20 0.38
CYP3A4 P08684 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
NPC1 O15118 1/20 0.36
PDE4B Q07343 3/20 0.36
PDE4A P27815 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
TRPA1 O75762 1/20 0.35
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CA12 O43570 1/20 0.34

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
SCHEMBL9918941 0.88 ALDH1A1 (0.43) HPGDALDH1A1KDM4EMAPTTSHR
SCHEMBL8563749 0.83 ALDH1A1 (0.41) HPGDALDH1A1KDM4EMAPTTSHR
SCHEMBL5644779 0.82 TSHR (0.54) HPGDALDH1A1KDM4ETSHRGAA
SCHEMBL4341836 0.78 HPGD (0.47) HPGDALDH1A1KDM4EMAPTTSHR
SCHEMBL9918953 0.77 CYP3A4 (0.45) HPGDALDH1A1KDM4EMAPTTSHR
SCHEMBL9918943 0.77 CYP3A4 (0.54) HPGDALDH1A1KDM4EMAPTTSHR
SCHEMBL8568775 0.77 CYP3A4 (0.42) HPGDALDH1A1KDM4EMAPTCYP3A4
SCHEMBL29151746 0.76 CYP3A4 (0.49) HPGDALDH1A1KDM4EMAPTTSHR
SCHEMBL1019299 0.76 CYP3A4 (0.56) HPGDALDH1A1KDM4EMAPTTSHR
SCHEMBL29648847 0.76 CYP3A4 (0.56) HPGDALDH1A1KDM4EMAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9334236-B2 Lactam-based compounds with a urethane or urea functional group, and uses thereof ISP INVESTMENTS INC. (US) 2016-05-10 US disclosed
US-9334236-B2 Lactam-based compounds with a urethane or urea functional group, and uses thereof ISP INVESTMENTS INC. (US) 2016-05-10 US disclosed
US-20120149861-A1 LACTAM-BASED COMPOUNDS WITH A URETHANE OR UREA FUNCTIONAL GROUP, AND USES THEREOF ISP INVESTMENTS LLC 2012-06-14 US disclosed
US-20120149861-A1 LACTAM-BASED COMPOUNDS WITH A URETHANE OR UREA FUNCTIONAL GROUP, AND USES THEREOF ISP INVESTMENTS LLC 2012-06-14 US disclosed
WO-2011022457-A1 LACTAM-BASED COMPOUNDS WITH A URETHANE OR UREA FUNCTIONAL GROUP, AND USES THEREOF ISP INVESTMENTS INC. (US) 2011-02-24 WO 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-20120149861-A1 LACTAM-BASED COMPOUNDS WITH A URETHANE OR UREA FUNCTIONAL GROUP, AND USES THEREOF CUTA, PUF60, PAM HPGD 3532/4885ALDH1A1 1456/4885KDM4E 340/4885

“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.