SCHEMBL7103871

SCHEMBL7103871

O=C1c2c(Cl)cccc2Cc2cccc(Cl)c21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.57
MEN1 O00255 1/20 0.57
USP2 O75604 1/20 0.57
ALDH1A1 P00352 1/20 0.57
HPN P05981 1/20 0.57
CYP3A4 P08684 1/20 0.57
ALOX5 P09917 1/20 0.57
MAPT P10636 1/20 0.57
THRB P10828 1/20 0.57
ALOX15 P16050 1/20 0.57
PTGS1 P23219 1/20 0.57
PDE4A P27815 1/20 0.57
KDR P35968 1/20 0.57
KMT2A Q03164 1/20 0.57
HSD17B10 Q99714 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
SIRT5 Q9NXA8 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
HRH3 Q9Y5N1 1/20 0.57
AHR P35869 1/20 0.47

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
SCHEMBL6902816 0.86 MAOA (0.61) TSHRMEN1USP2ALDH1A1HPN
SCHEMBL29522447 0.86 MAOA (0.61) TSHRMEN1USP2ALDH1A1HPN
SCHEMBL11041196 0.83 CYP2A6 (0.44) TSHRMEN1USP2ALDH1A1HPN
SCHEMBL20589092 0.82 AHR (0.47) TSHRMEN1USP2ALDH1A1HPN
SCHEMBL7029795 0.81 NSD2 (0.40) TSHRMEN1USP2ALDH1A1HPN
SCHEMBL6906371 0.80 METAP1 (0.54) TSHRMEN1USP2ALDH1A1HPN
SCHEMBL11661126 0.79 L3MBTL1 (0.39) TSHRMEN1USP2ALDH1A1HPN
Anthracene SCHEMBL28843478 0.79 MAOA (0.52) TSHRMEN1USP2ALDH1A1HPN
SCHEMBL8947485 0.76 CES1 (0.38) TSHRMEN1USP2ALDH1A1HPN
SCHEMBL3787825 0.76 MAOA (0.46) TSHRMEN1USP2ALDH1A1HPN

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
US-6596774-B1 For their ability to inhibit the growth of human oral epidermoid carcinoma cells, human cervical carcinoma cells and Chinese hamster ovary cells NATIONAL SCIENCE COUNCIL OF R.O.C. (TW) 2003-07-22 US disclosed
US-20030135060-A1 Synthesis, lipid peroxidation and cytotoxic evaluation of 10-substituted 1,5-dichloro-9(10H)-anthracenone derivatives NATIONAL SCIENCE COUNCIL OF R.O.C. (TW) 2003-07-17 US disclosed
US-6372785-B1 DRUGS FOR ANTIALLERGENS AND ANTIINFLAMMATORY AGENTS KEITH CHAN, PRESIDENT GLOBOASIA, LLC 2002-04-16 US disclosed
US-5434264-A α,α-disubstituted aromatics and heteroaromatics as cognition enhancers THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-07-18 US disclosed
US-5300642-A α, α-disubstituted aromatics and heteroaromatics as cognition enhancers THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-04-05 US disclosed
EP-0311010-B1 Alpha,Alpha-disubstituted aromatics and heteroaromatics as cognition enhancers DU PONT MERCK PHARMA (US) 1994-02-02 EP disclosed
EP-0532054-A1 Process for preparing alpha,alpha-disubstituted aromatics and heteroaromatics as cognition enhancers THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1993-03-17 EP disclosed
US-5173489-A α,α-disubstituted aromatics and heteroaromatics as cognition enhancers THE DUPONT MERCK PHARMACEUTICAL CO. (US) 1992-12-22 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-20030135060-A1 Synthesis, lipid peroxidation and cytotoxic evaluation of 10-substituted 1,5-dichloro-9(10H)-anthracenone derivatives GPX4, GPX1, AGK TSHR 2891/4885MEN1 1117/4885USP2 4578/4885

“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.