SCHEMBL6833033

SCHEMBL6833033

CCc1cc(C#N)cc(CC)c1CC(=O)OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 1/20 0.40
MAPT P10636 5/20 0.39
ALDH1A1 P00352 5/20 0.39
GPR35 Q9HC97 3/20 0.39
HSD17B10 Q99714 3/20 0.39
HPGD P15428 2/20 0.39
TP53 P04637 1/20 0.39
HTT P42858 2/20 0.37
KDM4E B2RXH2 6/20 0.36
GAA P10253 5/20 0.36
CYP1A2 P05177 1/20 0.36
GLA P06280 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
EGFR P00533 2/20 0.35

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
SCHEMBL6832152 0.91 GPR35 (0.38) HSP90AB1MAPTALDH1A1GPR35HSD17B10
SCHEMBL6829455 0.81 HSP90AB1 (0.41) HSP90AB1MAPTALDH1A1GPR35HSD17B10
SCHEMBL509455 0.81 RXRA (0.39) GPR35HTTEGLN1
SCHEMBL3081523 0.79 KDM4E (0.46) HSP90AB1MAPTALDH1A1HSD17B10HPGD
SCHEMBL1475954 0.77 HSP90AB1 (0.43) HSP90AB1MAPTALDH1A1GPR35HSD17B10
SCHEMBL20285289 0.76 HSP90AB1 (0.34) HSP90AB1MAPTALDH1A1HTTKDM4E
SCHEMBL20278849 0.76 HSP90AB1 (0.34) HSP90AB1MAPTALDH1A1HSD17B10HPGD
SCHEMBL25139321 0.76 TTR (0.34) GPR35MEN1KMT2A
SCHEMBL10174520 0.76 KDM4E (0.43) HSP90AB1MAPTALDH1A1HSD17B10HPGD
SCHEMBL2154144 0.74 CYP2A6 (0.41) MAPTALDH1A1GPR35MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6746990-B2 INSECTICIDES, ACARICIDES AND HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2004-06-08 US disclosed
US-20030045432-A1 Phenyl-substituted cyclic ketoenols FISCHER REINER (DE) 2003-03-06 US disclosed
US-6358887-B1 PREEMERGENCE, POSTEMERGENCE HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2002-03-19 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-20030045432-A1 Phenyl-substituted cyclic ketoenols CYP19A1, DDT, CYP8B1 HSP90AB1 1084/4885MAPT 4613/4885ALDH1A1 756/4885

“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.