SCHEMBL5598744

SCHEMBL5598744

O=C(C=Cc1cccs1)C=Cc1cccs1

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.74
SMN1; SMN2 Q16637 5/20 0.64
ALDH1A1 P00352 3/20 0.64
ABCG2 Q9UNQ0 2/20 0.61
LMNA P02545 3/20 0.59
MAPT P10636 3/20 0.59
RAB9A P51151 3/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
KDM4E B2RXH2 2/20 0.56
NPC1 O15118 2/20 0.56
PSMD14 O00487 1/20 0.56
TP53 P04637 1/20 0.56
GLA P06280 1/20 0.56
HTT P42858 1/20 0.56
HPGD P15428 1/20 0.54

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
SCHEMBL5598741 1.00 HCAR2 (0.74) HCAR2SMN1; SMN2ALDH1A1ABCG2LMNA
SCHEMBL12425740 0.91 HCAR2 (0.62) HCAR2SMN1; SMN2ALDH1A1ABCG2LMNA
SCHEMBL9329482 0.89 HCAR2 (0.66) HCAR2SMN1; SMN2ALDH1A1ABCG2LMNA
SCHEMBL9329490 0.89 HCAR2 (0.66) HCAR2SMN1; SMN2ALDH1A1ABCG2LMNA
SCHEMBL29242546 0.88 HCAR2 (0.65) HCAR2SMN1; SMN2ALDH1A1ABCG2LMNA
SCHEMBL28357180 0.86 ABCG2 (0.65) HCAR2SMN1; SMN2ALDH1A1ABCG2LMNA
SCHEMBL1086015 0.85 HCAR2 (0.71) HCAR2SMN1; SMN2ALDH1A1ABCG2LMNA
SCHEMBL143282 0.85 HCAR2 (1.00) HCAR2SMN1; SMN2ALDH1A1ABCG2LMNA
SCHEMBL4197243 0.85 HCAR2 (0.71) HCAR2SMN1; SMN2ALDH1A1ABCG2LMNA
SCHEMBL600082 0.85 HCAR2 (1.00) HCAR2SMN1; SMN2ALDH1A1ABCG2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117986921-A High-speed printing UV ink 珠海天威新材料股份有限公司 2024-05-07 CN claimed
CN-117986921-A High-speed printing UV ink 珠海天威新材料股份有限公司 2024-05-07 CN disclosed
US-20160039734-A1 THERAPEUTIC CURCUMIN DERIVATIVES STC UNM (US) 2016-02-11 US disclosed
US-9187397-B2 Therapeutic curcumin derivatives STC.UNM (US) 2015-11-17 US disclosed
US-20150011494-A1 THERAPEUTIC CURCUMIN DERIVATIVES STC.UNM 2015-01-08 US disclosed
US-8841326-B2 Therapeutic curcumin derivatives STC.UNM (US) 2014-09-23 US disclosed
US-20070060644-A1 Therapeutic curcumin derivatives STC.UNM 2007-03-15 US disclosed
US-20060276536-A1 Cancer treatment using curcumin derivatives STC.UNM 2006-12-07 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 (4 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-20160039734-A1 THERAPEUTIC CURCUMIN DERIVATIVES FABP2, GLS2, FABP1 HCAR2 414/4885SMN1; SMN2 88/4885ALDH1A1 670/4885
US-20070060644-A1 Therapeutic curcumin derivatives FABP2, GLS2, FABP1 HCAR2 414/4885SMN1; SMN2 88/4885ALDH1A1 670/4885
US-20150011494-A1 THERAPEUTIC CURCUMIN DERIVATIVES FABP2, GLS2, FABP1 HCAR2 414/4885SMN1; SMN2 88/4885ALDH1A1 670/4885
US-20060276536-A1 Cancer treatment using curcumin derivatives BRCA1, VHL, TP53 HCAR2 679/4885SMN1; SMN2 3797/4885ALDH1A1 110/4885

“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.