SCHEMBL1903236

SCHEMBL1903236

OCc1cc(Cl)c(Cl)cc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 7/20 0.50
TSHR P16473 5/20 0.50
HPGD P15428 5/20 0.50
CYP3A4 P08684 4/20 0.40
ALOX15 P16050 4/20 0.40
HSP90AA1 P07900 2/20 0.40
ALOX12 P18054 2/20 0.40
HIF1A Q16665 3/20 0.39
MEN1 O00255 3/20 0.39
MAPT P10636 3/20 0.39
KMT2A Q03164 3/20 0.39
SLC22A1 O15245 1/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
HSPD1 P10809 1/20 0.39
HSPA5 P11021 1/20 0.39
IDO1 P14902 1/20 0.39
CASP1 P29466 1/20 0.39
HTT P42858 1/20 0.39
BLM P54132 1/20 0.39

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
SCHEMBL1955558 0.83 GRIA1 (0.40) HSD17B10TSHRHPGDCYP3A4MAPT
SCHEMBL5385953 0.82 TSHR (0.55) HSD17B10TSHRHPGDCYP3A4ALOX15
SCHEMBL31166784 0.81 PDXK (0.34) HSD17B10TSHRHPGDCYP3A4ALOX15
SCHEMBL23726531 0.81 AHR (0.37) HSD17B10TSHRHPGDALOX15ALOX12
SCHEMBL23214749 0.81 LMNA (0.48) HSD17B10HPGDCYP3A4ALOX15ALOX12
SCHEMBL23214682 0.81 TSHR (0.37) HSD17B10TSHRHPGDCYP3A4ALOX15
SCHEMBL69620 0.81 CYP3A4 (0.58) HSD17B10TSHRHPGDCYP3A4ALOX15
SCHEMBL8830418 0.80 KLF10 (0.46) HSD17B10ALOX15MEN1MAPTKMT2A
SCHEMBL9567411 0.78 HSD17B10 (0.41) HSD17B10TSHRHPGDCYP3A4ALOX15
SCHEMBL522652 0.77 CBFB (0.36) HSD17B10TSHRHPGDCYP3A4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220411367-A1 ARYLMETHYLENE HETEROCYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D. E. SHAW RESEARCH, LLC 2022-12-29 US disclosed
US-20220411367-A1 ARYLMETHYLENE HETEROCYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D. E. SHAW RESEARCH, LLC 2022-12-29 US disclosed
EP-4041228-A1 ARYLMETHYLENE HETEROCYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D.E. Shaw Research, LLC (US) 2022-08-17 EP disclosed
CN-114727993-A Arylmethylene heterocyclic compounds as Kv1.3 potassium SHAKER channel blockers D·E·萧尔研究有限责任公司 2022-07-08 CN disclosed
WO-2021071812-A1 ARYLMETHYLENE HETEROCYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D.E SHAW RESEARCH, LLC (US) 2021-04-15 WO disclosed
WO-2021071812-A1 ARYLMETHYLENE HETEROCYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D.E SHAW RESEARCH, LLC (US) 2021-04-15 WO disclosed
EP-1335726-B1 MODIFIED PRODRUG FORMS OF AP NANOTHERAPEUTICS INC (US) 2011-05-25 EP disclosed
EP-1335726-A4 MODIFIED PRODRUG FORMS OF AP/AMP VION PHARMACEUTICALS INC (US) 2009-03-25 EP disclosed
US-20050261251-A1 Antiviral agents and methods of treating viral infections VION PHARMACEUTICALS, INC. (US) 2005-11-24 US disclosed
US-6911460-B2 Antiviral agents and methods of treating viral infections VION PHARMACEUTICALS, INC. (US) 2005-06-28 US disclosed
EP-1335726-A1 MODIFIED PRODRUG FORMS OF AP/AMP Vion Pharmaceuticals, Inc. (US) 2003-08-20 EP disclosed
US-20020188011-A1 Antiviral agents and methods of treating viral infections NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2002-12-12 US disclosed
WO-2002085358-A2 ANTIVIRAL AGENTS AND METHODS OF TREATING VIRAL INFECTIONS VION PHARMACEUTICALS, INC. (US) 2002-10-31 WO disclosed
US-6458816-B1 ANTICANCER AGENTS VION PHARMACEUTICALS, INC. 2002-10-01 US disclosed
US-20020119955-A1 Modified prodrug forms of AP/AMP NANOTHERAPEUTICS, INC. 2002-08-29 US disclosed
WO-2002030424-A1 MODIFIED PRODRUG FORMS OF AP/AMP VION PHARMACEUTICALS, INC. (US) 2002-04-18 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 (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-20020188011-A1 Antiviral agents and methods of treating viral infections AMPD3, AMPD2, MTAP HSD17B10 3386/4885TSHR 4234/4885HPGD 1634/4885
US-20020119955-A1 Modified prodrug forms of AP/AMP AP3B1, AP3D1, AP3M1 HSD17B10 2955/4885TSHR 1347/4885HPGD 2532/4885
US-20220411367-A1 ARYLMETHYLENE HETEROCYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS KCNJ2, KCNA3, KCNH3 HSD17B10 794/4885TSHR 2041/4885HPGD 2594/4885
US-20050261251-A1 Antiviral agents and methods of treating viral infections AMPD3, AMPD2, MTAP HSD17B10 3386/4885TSHR 4234/4885HPGD 1634/4885

“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.