SCHEMBL3108916

SCHEMBL3108916

NN1C(=O)C2CC=CCC2C1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
LMNA P02545 3/20 0.47
TP53 P04637 3/20 0.47
TSHR P16473 2/20 0.47
KMT2A Q03164 2/20 0.47
HSD17B10 Q99714 2/20 0.47
CYP3A4 P08684 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
HIF1A Q16665 1/20 0.47
NPSR1 Q6W5P4 2/20 0.45
CA9 Q16790 5/20 0.44
CA1 P00915 4/20 0.44
CA2 P00918 4/20 0.44
TDP1 Q9NUW8 3/20 0.44
CA12 O43570 3/20 0.44
POLB P06746 2/20 0.44
CA4 P22748 1/20 0.39

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
SCHEMBL21449886 0.74 ALDH1A1 (0.47) ALDH1A1LMNATP53TSHRKMT2A
SCHEMBL16607543 0.74 ALDH1A1 (0.47) ALDH1A1LMNATP53TSHRKMT2A
SCHEMBL17532418 0.72 ALDH1A1 (0.57) ALDH1A1LMNATP53TSHRKMT2A
SCHEMBL18544899 0.70 ALDH1A1 (0.41) ALDH1A1TP53TSHRKMT2ACYP3A4
SCHEMBL18516108 0.70 ALDH1A1 (0.44) ALDH1A1LMNATP53TSHRKMT2A
SCHEMBL24303344 0.69 ALDH1A1 (0.53) ALDH1A1LMNATP53TSHRKMT2A
SCHEMBL12308314 0.69 NPSR1 (0.46) ALDH1A1LMNATP53TSHRKMT2A
SCHEMBL9796552 0.69 ALDH1A1 (0.57) ALDH1A1LMNATP53TSHRKMT2A
SCHEMBL9550340 0.69 ALDH1A1 (0.42) ALDH1A1LMNATP53TSHRKMT2A
SCHEMBL17532435 0.69 ALDH1A1 (0.46) ALDH1A1LMNATP53TSHRKMT2A

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
EP-3853219-B1 HERBICIDALLY ACTIVE SUBSTITUTED PHENYLPYRIMIDINE HYDRAZIDES BAYER AG (DE) 2023-07-12 EP disclosed
WO-2020058062-A1 HERBICIDALLY ACTIVE SUBSTITUTED PHENYLPYRIMIDINE HYDRAZIDES BAYER AKTIENGESELLSCHAFT (DE) 2020-03-26 WO disclosed
US-20100273924-A1 CURABLE COMPOSITIONS HAVING LESS VOLATILIZATION SIKA TECHNOLOGY AG (CH) 2010-10-28 US disclosed
EP-2225298-A1 CURABLE COMPOSITIONS HAVING LESS VOLATILIZATION Sika Technology AG (CH) 2010-09-08 EP disclosed
WO-2009080738-A1 CURABLE COMPOSITIONS HAVING LESS VOLATILIZATION SIKA TECHNOLOGY AG (CH) 2009-07-02 WO disclosed
EP-2072550-A1 Hardening compounds with reduced gas emission Sika Technology AG (CH) 2009-06-24 EP 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-20100273924-A1 CURABLE COMPOSITIONS HAVING LESS VOLATILIZATION CA4, CTH, CA6 ALDH1A1 205/4885LMNA 2384/4885TP53 3367/4885

“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.