SCHEMBL6929610

SCHEMBL6929610

COC(=O)c1cc(C(=O)c2cc(Br)c(OC)c(C(=O)OC)c2)cc(Br)c1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.49
TPMT P51580 1/20 0.47
TSHR P16473 1/20 0.46
APOBEC3A P31941 1/20 0.46
HTT P42858 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
ALDH1A1 P00352 3/20 0.46
NOTUM Q6P988 1/20 0.44
KDM4E B2RXH2 4/20 0.43
HPGD P15428 3/20 0.43
NPSR1 Q6W5P4 1/20 0.43
POLB P06746 2/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.41
NCOA1 Q15788 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
CYP2C19 P33261 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
GALK1 P51570 1/20 0.40

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
SCHEMBL10339486 0.87 KDM4E (0.49) HSD17B10ALDH1A1KDM4EHPGDNPSR1
SCHEMBL4113785 0.82 HSD17B10 (0.71) HSD17B10TPMTTSHRAPOBEC3AHTT
SCHEMBL5240714 0.82 HSD17B10 (0.51) HSD17B10TPMTTSHRAPOBEC3AHTT
SCHEMBL30745030 0.82 HSD17B10 (0.51) HSD17B10TPMTTSHRAPOBEC3AHTT
SCHEMBL8640946 0.81 TPMT (0.50) HSD17B10TPMTTSHRAPOBEC3AHTT
SCHEMBL4879449 0.81 KDM4E (0.44) HSD17B10ALDH1A1KDM4EHPGDNPSR1
SCHEMBL3709174 0.80 HSD17B10 (0.49) HSD17B10TPMTTSHRAPOBEC3AHTT
SCHEMBL3349066 0.80 TPMT (0.59) HSD17B10TPMTTSHRAPOBEC3AHTT
SCHEMBL12419331 0.79 GALK1 (0.59) TPMTHTTALDH1A1KDM4EHPGD
SCHEMBL20944322 0.79 HSD17B10 (0.49) HSD17B10TPMTTSHRAPOBEC3AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030220315-A1 Alkenyldiarylmethane non-nucleoside HIV-1 reverse transcriptase inhibitors CUSHMAN MARK S (US) 2003-11-27 US disclosed
EP-1047656-A4 ALKENYLDIARYLMETHANE NON-NUCLEOSIDE HIV-1 REVERSE TRANSCRIPTASE INHIBITORS PURDUE RESEARCH FOUNDATION (US) 2003-07-30 EP disclosed
US-6569897-B1 Such as 3',3\"-dibromo-4',4\"-dimethyoxy-5',5\"-bis(methyoxy carbonyl)-1,1-diphenylethene PURDUE RESEARCH FOUNDATION 2003-05-27 US disclosed
EP-1047656-A1 ALKENYLDIARYLMETHANE NON-NUCLEOSIDE HIV-1 REVERSE TRANSCRIPTASE INHIBITORS PURDUE RESEARCH FOUNDATION (US) 2000-11-02 EP disclosed
WO-1999036384-A1 ALKENYLDIARYLMETHANE NON-NUCLEOSIDE HIV-1 REVERSE TRANSCRIPTASE INHIBITORS PURDUE RESEARCH FOUNDATION (US) 1999-07-22 WO 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-20030220315-A1 Alkenyldiarylmethane non-nucleoside HIV-1 reverse transcriptase inhibitors SAMHD1, DNTT, ADAM8 HSD17B10 227/4885TPMT 194/4885TSHR 4336/4885

“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.