SCHEMBL12440950

SCHEMBL12440950

Cc1ccc(C=O)c(Br)c1OC(C)C

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 1/20 0.38
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
ERN1 O75460 1/20 0.32
TYR P14679 1/20 0.32
CYP1A2 P05177 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
PRKDC P78527 1/20 0.30

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
SCHEMBL16687422 0.83 ALDH1A3 (0.36) ALDH1A3ERN1TYR
SCHEMBL9945972 0.81 ALDH1A3 (0.37) ALDH1A3ERN1TYRCYP1A2MAPT
SCHEMBL13429930 0.81 ALDH1A3 (0.37) ALDH1A3ERN1TYRCYP1A2MAPT
SCHEMBL12514805 0.80 ALDH1A3 (0.36) ALDH1A3ERN1TYR
SCHEMBL21413070 0.79 ALDH1A3 (0.38) ALDH1A3ALDH1A1TSHRERN1TYR
SCHEMBL10132652 0.76 ERN1 (0.40) ALDH1A3ALDH1A1ERN1CYP1A2MAPT
SCHEMBL1598490 0.75 TSHR (0.50) ALDH1A3ALDH1A1TSHRERN1CYP1A2
SCHEMBL27928228 0.74 ALDH1A1 (0.38) ALDH1A3ALDH1A1TSHRERN1MAPT
SCHEMBL3321491 0.73 ALDH1A1 (0.44) ALDH1A1TSHRERN1TYRCYP1A2
SCHEMBL29581599 0.72 SCN4A (0.37) ALDH1A3ALDH1A1TSHRCYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9318706-B2 Laminated structure, method for producing same, and electronic element comprising same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-04-19 US disclosed
US-20110177312-A1 LAMINATED STRUCTURE, METHOD FOR PRODUCING SAME, AND ELECTRONIC ELEMENT COMPRISING SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-07-21 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-20110177312-A1 LAMINATED STRUCTURE, METHOD FOR PRODUCING SAME, AND ELECTRONIC ELEMENT COMPRISING SAME EPCAM, ITGA1, ITGB1 ALDH1A3 1388/4885ALDH1A1 618/4885TSHR 4526/4885

“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.