SCHEMBL21526735

SCHEMBL21526735

COc1cc(Br)c(Cl)c(Br)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.53
▸ CYP1A1 P04798 5/20 0.40
▸ CYP1B1 Q16678 5/20 0.40
▸ CYP3A4 P08684 3/20 0.39
▸ CA2 P00918 3/20 0.38
▸ CA1 P00915 2/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA7 P43166 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ CA14 Q9ULX7 1/20 0.38
▸ CA4 P22748 1/20 0.37
▸ CYP1A2 P05177 3/20 0.36
▸ CYP2E1 P05181 2/20 0.36
▸ CYP2C8 P10632 2/20 0.36
▸ CYP2D6 P10635 2/20 0.36
▸ CYP2A6 P11509 2/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ CYP4B1 P13584 2/20 0.36
▸ CYP2B6 P20813 2/20 0.36
▸ CYP3A5 P20815 2/20 0.36

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
SCHEMBL29466255 0.87 ALDH1A1 (0.46) ALDH1A1CYP1A1CYP1B1CYP3A4CA2
SCHEMBL264987 0.87 ALDH1A1 (0.46) ALDH1A1CYP1A1CYP1B1CYP3A4CA2
SCHEMBL18523730 0.85 ALDH1A1 (0.43) ALDH1A1CYP1A1CYP1B1CYP3A4CYP1A2
SCHEMBL27191754 0.84 TAAR1 (0.44) ALDH1A1CYP1A1CYP1B1CYP3A4CA2
SCHEMBL21614372 0.84 CYP3A4 (0.52) ALDH1A1CYP1A1CYP1B1CYP3A4CA2
SCHEMBL18395150 0.84 POLB (0.43) ALDH1A1CYP1A1CYP1B1CYP3A4POLB
SCHEMBL31435883 0.80 CA1 (0.53) ALDH1A1CYP1A1CYP1B1CYP3A4CA2
SCHEMBL11403757 0.77 ALDH1A1 (0.59) ALDH1A1CYP1A1CYP1B1CYP3A4CA2
SCHEMBL18395985 0.76 MAPK1 (0.53) ALDH1A1CYP3A4CYP1A2CYP2D6CYP2C19
SCHEMBL3182302 0.76 ALDH1A1 (0.50) ALDH1A1CYP1A1CYP1B1CYP3A4CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260138956-A1 NOVEL COMPOUNDS AND USES THEREOF RECURSION PHARMACEUTICALS INC (US) 2026-05-21 — — US disclosed
CN-118480060-A Boron-nitrogen-containing compound and application thereof 阜阳欣奕华材料科技有限公司 2024-08-13 — — CN disclosed
US-20230143612-A1 SUBSTITUTED 1,1'-BIPHENYL COMPOUNDS AND METHODS USING SAME ARBUTUS BIOPHARMA CORP (US) 2023-05-11 — — US disclosed
EP-4100381-A1 SUBSTITUTED 1,1'-BIPHENYL COMPOUNDS AND METHODS USING SAME Arbutus Biopharma Corporation (CA) 2022-12-14 — — EP disclosed
CN-115413275-A Substituted 1,1 , -biphenyl compounds and methods of use thereof 爱彼特生物制药公司 2022-11-29 — — CN disclosed
CN-110225917-B Novel compound and organic light emitting device using the same 株式会社LG化学 2022-11-25 — — CN disclosed
US-11502261-B2 Compound and organic light emitting device using the same LG CHEM LTD. (KR) 2022-11-15 — — US disclosed
WO-2021158481-A1 SUBSTITUTED 1,1'-BIPHENYL COMPOUNDS AND METHODS USING SAME ARBUTUS BIOPHARMA, INC. (US) 2021-08-12 — — WO disclosed
EP-3564249-B1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME LG CHEMICAL LTD (KR) 2021-01-20 — — EP disclosed
EP-3564249-B1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME LG CHEMICAL LTD (KR) 2021-01-20 — — EP disclosed
US-20200058885-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME LG CHEM, LTD. (KR) 2020-02-20 — — US disclosed
WO-2020007882-A1 M-GUAIACOL DERIVATIVES, PREPARATION THEREOF, AND USES THEREOF UNIVERSITE DE CAEN NORMANDIE (FR) 2020-01-09 — — WO disclosed
EP-3564249-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME LG Chem, Ltd. (KR) 2019-11-06 — — EP disclosed
EP-3564249-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME LG Chem, Ltd. (KR) 2019-11-06 — — EP disclosed
CN-106458860-A Pesticidal compositions and methods related thereto 美国陶氏益农公司 2017-02-22 — — 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 (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-20260138956-A1 NOVEL COMPOUNDS AND USES THEREOF SLC10A1, NR3C2, CYP2C8 ALDH1A1 230/4885CYP1A1 114/4885CYP1B1 55/4885
US-11502261-B2 Compound and organic light emitting device using the same TRPA1, CRY1, TMEM109 ALDH1A1 27/4885CYP1A1 7/4885CYP1B1 5/4885
US-20200058885-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME TMEM109, CRY1, TRPA1 ALDH1A1 28/4885CYP1A1 25/4885CYP1B1 12/4885
US-20230143612-A1 SUBSTITUTED 1,1'-BIPHENYL COMPOUNDS AND METHODS USING SAME HAVCR2, HMBS, VHL ALDH1A1 172/4885CYP1A1 21/4885CYP1B1 6/4885

“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.

Send feedback