SCHEMBL1710751

SCHEMBL1710751

COc1cc(Br)cc(I)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
CYP1A1 P04798 3/20 0.36
CYP1B1 Q16678 3/20 0.36
CYP3A4 P08684 3/20 0.34
CA2 P00918 3/20 0.33
CA1 P00915 2/20 0.33
CA4 P22748 1/20 0.33
CA12 O43570 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
MEN1 O00255 2/20 0.33
RAB9A P51151 2/20 0.33
KMT2A Q03164 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
HPGD P15428 1/20 0.33
APP P05067 4/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL30015780 1.00 ALDH1A1 (0.46) ALDH1A1CYP1A1CYP1B1CYP3A4CA2
SCHEMBL202288 0.82 ALDH1A1 (0.69) ALDH1A1CYP1A1CYP1B1CYP3A4CA2
SCHEMBL388181 0.82 ALDH1A1 (0.69) ALDH1A1CYP1A1CYP1B1CYP3A4CA2
SCHEMBL309832 0.82 ALDH1A1 (0.59) ALDH1A1CYP1A1CYP1B1CYP3A4CA2
SCHEMBL811852 0.82 ALDH1A1 (0.59) ALDH1A1CYP1A1CYP1B1CYP3A4CA2
SCHEMBL2999328 0.79 ALDH1A1 (0.65) ALDH1A1CYP1A1CYP1B1CYP3A4CA2
SCHEMBL3966378 0.79 ALDH1A1 (0.65) ALDH1A1CYP1A1CYP1B1CYP3A4CA2
SCHEMBL3930569 0.77 APP (0.63) RAB9AAPPMAOB
SCHEMBL13960581 0.76 NQO1 (0.41) CYP3A4MEN1KMT2AHPGDAPP
SCHEMBL15641765 0.75 CYP1A1 (0.50) ALDH1A1CYP1A1CYP1B1CYP3A4MEN1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260092053-A1 KHK INHIBITORS GILEAD SCIENCES INC (US) 2026-04-02 US disclosed
US-20260053393-A1 NEAR-IR GLUCOSE SENSORS PROFUSA INC (US) 2026-02-26 US disclosed
EP-4681774-A2 KHK INHIBITORS Gilead Sciences, Inc. (US) 2026-01-21 EP disclosed
EP-4313967-B1 KHK INHIBITORS GILEAD SCIENCES INC (US) 2025-11-12 EP disclosed
US-12410160-B2 KHK inhibitors GILEAD SCIENCES, INC. (US) 2025-09-09 US disclosed
US-12285250-B2 Near-IR glucose sensors PROFUSA, INC (US) 2025-04-29 US disclosed
CN-119320342-A Method for preparing disulfide at low temperature 苏州大学 2025-01-17 CN disclosed
WO-2024107746-A1 INHIBITORS AND DEGRADERS OF PIP4K PROTEIN LARKSPUR BIOSCIENCES (US) 2024-05-23 WO disclosed
WO-2024107746-A1 INHIBITORS AND DEGRADERS OF PIP4K PROTEIN LARKSPUR BIOSCIENCES (US) 2024-05-23 WO disclosed
EP-4313967-A1 KHK INHIBITORS GILEAD SCIENCES, INC. (US) 2024-02-07 EP disclosed
CN-112601491-A Near-infrared glucose sensor 普罗菲尤萨股份有限公司 2021-04-02 CN disclosed
EP-2344451-A2 SULFUR-LINKED COMPOUNDS FOR TREATING OPTHALMIC DISEASES AND DISORDERS Acucela, Inc. (US) 2011-07-20 EP disclosed
US-20100093865-A1 SULPHUR-LINKED COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-04-15 US disclosed
WO-2010028088-A2 SULFUR-LINKED COMPOUNDS FOR TREATING OPTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-03-11 WO disclosed
US-20090093479-A1 ANTI-CANCER AGENTS AND USES THEREOF LOCUS PHARMACEUTICALS, INC. (US) 2009-04-09 US disclosed
US-7504401-B2 Anti-cancer agents and uses thereof LOCUS PHARMACEUTICALS, INC. (US) 2009-03-17 US disclosed
US-20080280891-A1 Anti-cancer agents and uses thereof LOCUS PHARMACEUTICALS, INC. (US) 2008-11-13 US disclosed
WO-2008008059-A1 ANTI-CANCER AGENTS ANS USES THEREOF LOCUS PHARMACEUTICALS, INC. (US) 2008-01-17 WO disclosed
US-20060270686-A1 Anti-cancer agents and uses thereof LOCUS PHARMACEUTICALS, INC. 2006-11-30 US disclosed
CN-1201454-A Meta-guanidino, ureido, thioureido or azacyclic aminobenzoic acid derivatives as integrin antagonists SEARLE & CO (US) 1998-12-09 CN 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 (8 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-20260053393-A1 NEAR-IR GLUCOSE SENSORS INSR, IRS1, SLC2A4 ALDH1A1 3198/4885CYP1A1 3005/4885CYP1B1 3048/4885
US-20090093479-A1 ANTI-CANCER AGENTS AND USES THEREOF H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, MCL1, CBR3 ALDH1A1 731/4885CYP1A1 530/4885CYP1B1 642/4885
US-20260092053-A1 KHK INHIBITORS KHK, SLC5A2, HK1 ALDH1A1 700/4885CYP1A1 1204/4885CYP1B1 881/4885
US-20060270686-A1 Anti-cancer agents and uses thereof H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, MCL1, CBR3 ALDH1A1 659/4885CYP1A1 476/4885CYP1B1 616/4885
US-12410160-B2 KHK inhibitors KHK, KHDRBS1, NADK ALDH1A1 1520/4885CYP1A1 1031/4885CYP1B1 783/4885
US-20080280891-A1 Anti-cancer agents and uses thereof NR2E3, RB1, CBR3 ALDH1A1 489/4885CYP1A1 2061/4885CYP1B1 1589/4885
US-12285250-B2 Near-IR glucose sensors IRS1, SLC2A4, GPR119 ALDH1A1 1177/4885CYP1A1 2421/4885CYP1B1 2621/4885
US-20100093865-A1 SULPHUR-LINKED COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ALDH1A2, MPST, CLN6 ALDH1A1 314/4885CYP1A1 4767/4885CYP1B1 3890/4885

“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.