SCHEMBL9918935

SCHEMBL9918935

C=CCOc1ccc(C)c(OCC=C)c1N=C=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.35
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPT P10636 2/20 0.35
PTGS1 P23219 2/20 0.34
PTGS2 P35354 2/20 0.34
POLB P06746 1/20 0.34
TSHR P16473 2/20 0.34
GAA P10253 1/20 0.34
TLR4 O00206 1/20 0.34
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PDE4B Q07343 3/20 0.33
CXCR5 P32302 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
GABRA1 P14867 1/20 0.33

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
SCHEMBL11102298 0.80 GABRA1 (0.41) HPGDKDM4EALDH1A1MAPTPOLB
SCHEMBL9918951 0.75 CYP3A4 (0.49) HPGDKDM4EALDH1A1MAPTPTGS1
SCHEMBL9918953 0.75 CYP3A4 (0.45) HPGDKDM4EALDH1A1MAPTPTGS1
SCHEMBL9918952 0.75 HPGD (0.39) HPGDKDM4EALDH1A1MAPTTSHR
SCHEMBL11221012 0.71 ALDH1A1 (0.47) HPGDKDM4EALDH1A1MAPTTSHR
SCHEMBL4341836 0.71 HPGD (0.47) HPGDKDM4EALDH1A1MAPTTSHR
SCHEMBL11098589 0.70 ALDH1A1 (0.42) HPGDKDM4EALDH1A1MAPTLMNA
SCHEMBL5806322 0.70 HPGD (0.51) HPGDKDM4EALDH1A1MAPTTSHR
SCHEMBL9918943 0.70 CYP3A4 (0.54) HPGDKDM4EALDH1A1MAPTPOLB
SCHEMBL9918941 0.70 ALDH1A1 (0.43) HPGDKDM4EALDH1A1MAPTTSHR

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 3532/4885KDM4E 340/4885ALDH1A1 1456/4885

“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.