SCHEMBL11225337

SCHEMBL11225337

C=C(N1CCCC1)N1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
HPGD P15428 4/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
NFKB1 P19838 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP2C19 P33261 1/20 0.42
THPO P40225 1/20 0.42
MTOR P42345 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
HIF1A Q16665 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL10662365 0.96 ALDH1A1 (0.45) ALDH1A1HPGDMAPTKDM4ETP53
SCHEMBL10664302 0.96 ALDH1A1 (0.45) ALDH1A1HPGDMAPTKDM4ETP53
SCHEMBL17122535 0.81 CA2 (0.60) ALDH1A1KDM4ECA2CA1CA12
SCHEMBL21443542 0.77 POLB (0.44) ALDH1A1HPGDMAPTCYP1A2CYP2C9
SCHEMBL28865874 0.73 ALDH1A1 (0.35) ALDH1A1HPGDMAPTALOX15HSD17B10
SCHEMBL8275093 0.72 ALDH1A1 (0.33) ALDH1A1HPGDMAPTKDM4ETP53
SCHEMBL607804 0.72
SCHEMBL18288194 0.72
SCHEMBL14223425 0.72
SCHEMBL12162909 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4338428-A Novel polyamides from ketene-aminals THE UPJOHN COMPANY (US) 1982-07-06 US claimed
US-11572355-B2 Methods for synthesizing vinylidenes and alkenes THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2023-02-07 US disclosed
US-20220017494-A1 METHODS FOR SYNTHESIZING VINYLIDENES AND ALKENES UNITED STATES DEPARTMENT OF ENERGY 2022-01-20 US disclosed
EP-2026754-B1 LIGHTENING AND/OR COLOURING AGENT COMPRISING CYCLIC UREA DERIVATIVES HENKEL AG & CO KGAA (DE) 2015-09-30 EP disclosed
US-4342841-A Polyamide polyurethane prepared by reaction of polyisocyanate with a 1,1-diamino ethylene THE UPJOHN COMPANY (US) 1982-08-03 US disclosed
US-4338428-A Novel polyamides from ketene-aminals THE UPJOHN COMPANY (US) 1982-07-06 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 (2 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-11572355-B2 Methods for synthesizing vinylidenes and alkenes ALKBH2, VAV1, ALKBH3 ALDH1A1 474/4885HPGD 985/4885MAPT 4200/4885
US-20220017494-A1 METHODS FOR SYNTHESIZING VINYLIDENES AND ALKENES ALKBH2, VAV1, ALKBH3 ALDH1A1 474/4885HPGD 985/4885MAPT 4200/4885

“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.