SCHEMBL8219644

SCHEMBL8219644

CCCCC1(CCCN)NC1=O

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.38
DNM1 Q05193 8/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
EPHX1 P07099 1/20 0.37
HSD17B10 Q99714 1/20 0.34
KDM4E B2RXH2 1/20 0.33
PKM P14618 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
SCHEMBL10659784 0.94 DNM1 (0.41) CYP19A1DNM1MEN1KMT2AALDH1A1
SCHEMBL8222748 0.92 CYP19A1 (0.38) CYP19A1DNM1MEN1KMT2AALDH1A1
SCHEMBL9895106 0.85 CYP19A1 (0.36) CYP19A1HSD17B10KDM4EPKM
SCHEMBL29775979 0.80 HSD17B10 (0.37) CYP19A1HSD17B10KDM4EPKM
SCHEMBL10664843 0.79 ALDH1A1 (0.40) CYP19A1MEN1KMT2AALDH1A1TSHR
SCHEMBL10659897 0.79 CYP19A1 (0.35) CYP19A1MEN1KMT2AALDH1A1HSD17B10
SCHEMBL10665792 0.78 SMN1; SMN2 (0.42) CYP19A1MEN1KMT2AALDH1A1TSHR
SCHEMBL1359080 0.77 GAA (0.39) CYP19A1HSD17B10KDM4EPKM
SCHEMBL6331007 0.77 TDP1 (0.40) CYP19A1HSD17B10
SCHEMBL23354908 0.75 MMP2 (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0088977-B1 ELECTRON BEAM SENSITIVE RESIST GAF CORPORATION (US) 1988-06-01 EP claimed
US-4448875-A HALF-ESTER OR -AMIDE OF ALKYL VINYL ETHER-MALEIC ANHYDRIDE COPOLYMER GAF CORPORATION (US) 1984-05-15 US claimed
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
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
EP-0541536-A1 ALKYL VINYL ETHER POLYMERS CONTAINING A LACTAM FUNCTIONALITY ISP INVESTMENTS INC. (US) 1993-05-19 EP disclosed
EP-0541536-A4 ALKYL VINYL ETHER POLYMERS CONTAINING A LACTAM FUNCTIONALITY. ISP INVESTMENTS INC (US) 1992-10-03 EP disclosed
EP-0088977-B1 ELECTRON BEAM SENSITIVE RESIST GAF CORPORATION (US) 1988-06-01 EP disclosed
US-4448875-A HALF-ESTER OR -AMIDE OF ALKYL VINYL ETHER-MALEIC ANHYDRIDE COPOLYMER GAF CORPORATION (US) 1984-05-15 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-20120149861-A1 LACTAM-BASED COMPOUNDS WITH A URETHANE OR UREA FUNCTIONAL GROUP, AND USES THEREOF CUTA, PUF60, PAM CYP19A1 970/4885DNM1 3095/4885MEN1 1740/4885

“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.