SCHEMBL4093138

SCHEMBL4093138

O=C(O)/C=C/C=C(\Br)c1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
CES2 O00748 2/20 0.42
CES1 P23141 2/20 0.42
SRD5A2 P31213 1/20 0.41
CYP1B1 Q16678 1/20 0.41
GSK3B P49841 2/20 0.40
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
MAPT P10636 2/20 0.39
CYP1A2 P05177 1/20 0.39
HPGD P15428 1/20 0.39
ALOX12 P18054 1/20 0.39
CYP2C19 P33261 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAOB P27338 1/20 0.38
TAAR1 Q96RJ0 1/20 0.37

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
SCHEMBL4093142 1.00 ALOX15 (0.45) ALOX15TSHRCES2CES1SRD5A2
SCHEMBL4093145 1.00 ALOX15 (0.45) ALOX15TSHRCES2CES1SRD5A2
SCHEMBL3943635 0.82 ALDH1A1 (0.55) CES2CES1SRD5A2CYP1B1GSK3B
SCHEMBL3943639 0.82 ALDH1A1 (0.55) CES2CES1SRD5A2CYP1B1GSK3B
SCHEMBL3943637 0.82 ALDH1A1 (0.55) CES2CES1SRD5A2CYP1B1GSK3B
SCHEMBL10399085 0.81 ALOX15 (0.48) ALOX15TSHRCES2CES1SRD5A2
SCHEMBL3945845 0.81 ALOX15 (0.48) ALOX15TSHRCES2CES1SRD5A2
SCHEMBL3945842 0.81 ALOX15 (0.48) ALOX15TSHRCES2CES1SRD5A2
SCHEMBL3946491 0.78 SRD5A2 (0.46) SRD5A2CA1CA2MAPTCYP1A2
SCHEMBL3946489 0.78 SRD5A2 (0.46) SRD5A2CA1CA2MAPTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203667-A1 PENTADIENAMIDE DERIVATIVES KYOWA HAKKO KIRIN CO., LTD. (JP) 2009-08-13 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-20090203667-A1 PENTADIENAMIDE DERIVATIVES PRMT1, REN, NGLY1 ALOX15 3642/4885TSHR 425/4885CES2 3693/4885

“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.