SCHEMBL4558373

SCHEMBL4558373

C=CCB(CC=C)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
TSHR P16473 3/20 0.36
ORAI1 Q96D31 2/20 0.36
ORAI2 Q96SN7 2/20 0.36
ORAI3 Q9BRQ5 2/20 0.36
TRPV6 Q9H1D0 2/20 0.36
PCSK9 Q8NBP7 2/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
ENPP2 Q13822 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
CYP2C19 P33261 1/20 0.32
KDM4E B2RXH2 2/20 0.31
MEN1 O00255 2/20 0.31
HPGD P15428 2/20 0.31
KMT2A Q03164 2/20 0.31
TRPM2 O94759 1/20 0.31

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
SCHEMBL9777193 0.80 ALDH1A1 (0.36) ALDH1A1TSHRORAI1ORAI2ORAI3
SCHEMBL7078619 0.76 SMN1; SMN2 (0.36) ALDH1A1CYP2C19KDM4EHPGDCYP1A2
SCHEMBL15690945 0.74 ALDH1A1 (0.37) ALDH1A1KDM4EHPGDCYP1A2CYP3A4
SCHEMBL1159537 0.69 MAPT (0.41) ALDH1A1TSHRKDM4EKMT2AHTT
Allylamine SCHEMBL6678252 0.68 ALDH1A1 (0.43) ALDH1A1TSHRORAI1ORAI2ORAI3
SCHEMBL1158664 0.67 GABRA1 (0.41) ALDH1A1TSHRKDM4ECYP1A2GABRA1
SCHEMBL2143304 0.65 CYP3A4 (0.38) ALDH1A1TSHRORAI1ORAI2ORAI3
SCHEMBL1474212 0.65 ORAI1 (0.41) ALDH1A1TSHRORAI1ORAI2ORAI3
SCHEMBL14798475 0.65 TRPV6 (0.48) ALDH1A1TSHRORAI1ORAI2ORAI3
SCHEMBL333263 0.65 PCSK9 (0.43) ALDH1A1TSHRORAI1ORAI2ORAI3

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-1717230-B1 FUSED-RING 4-OXOPYRIMIDINE DERIVATIVE MSD KK (JP) 2014-08-06 EP disclosed
US-8268842-B2 Fused ring 4-oxopyrimidine derivative MSD K.K. (JP) 2012-09-18 US disclosed
US-20090209562-A1 Fused ring 4-oxopyrimidine derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-08-20 US disclosed
US-7521455-B2 Fused ring 4-oxopyrimidine derivative BANYU PHARMACEUTICAL CO. LTD. (JP) 2009-04-21 US disclosed
EP-1717230-A1 FUSED-RING 4-OXOPYRIMIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-02 EP disclosed
US-20050182045-A1 Fused ring 4-oxopyrimidine derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-08-18 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-20050182045-A1 Fused ring 4-oxopyrimidine derivative HRH4, HRH2, HRH3 ALDH1A1 1717/4885TSHR 227/4885ORAI1 2304/4885
US-20090209562-A1 Fused ring 4-oxopyrimidine derivative HRH4, HRH2, HRH3 ALDH1A1 1717/4885TSHR 227/4885ORAI1 2304/4885

“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.