SCHEMBL701066

SCHEMBL701066

COc1cc(C)c(Br)c(C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
CYP3A4 P08684 4/20 0.44
HPGD P15428 3/20 0.41
CYP1A1 P04798 2/20 0.40
CYP1B1 Q16678 2/20 0.40
LMNA P02545 1/20 0.39
FFAR4 Q5NUL3 1/20 0.38
CA2 P00918 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
ACHE P22303 2/20 0.38
PTPN1 P18031 2/20 0.37
CA4 P22748 1/20 0.37
MEN1 O00255 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP1A2 P05177 1/20 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
SCHEMBL3146133 0.85 NQO2 (0.44) ALDH1A1CYP3A4HPGDCYP1A1CYP1B1
SCHEMBL29653258 0.84 ALDH1A1 (0.42) ALDH1A1CYP3A4HPGDCYP1A1CYP1B1
SCHEMBL5839967 0.84 ALDH1A1 (0.42) ALDH1A1CYP3A4HPGDFFAR4MEN1
SCHEMBL27298729 0.84 CYP3A4 (0.58) ALDH1A1CYP3A4HPGDCA2CA1
SCHEMBL24456073 0.84 ALDH1A1 (0.42) ALDH1A1CYP3A4HPGDCYP1A1CYP1B1
SCHEMBL3473786 0.82 LTA4H (0.50) ALDH1A1LMNAFFAR4CA2CA12
SCHEMBL2289174 0.80 ALDH1A1 (0.39) ALDH1A1CYP3A4HPGDLMNAFFAR4
SCHEMBL30550473 0.79 ALDH1A1 (0.48) ALDH1A1CYP3A4HPGDCYP1A1CYP1B1
SCHEMBL6828147 0.79 ERN1 (0.46) ALDH1A1CYP3A4HPGDCYP1A1CYP1B1
SCHEMBL5840813 0.79 PDE4A (0.38) ALDH1A1CYP3A4HPGDLMNAFFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3692101-B1 BRILLIANT BLUE (BBG) DYE DERIVATIVES AND STAINING COMPOSITIONS COMPRISING THE SAME FOR SELECTIVELY STAINING BIOLOGICAL SUBSTRATES ALFA INSTR S R L (IT) 2022-01-12 EP claimed
EP-3692101-A1 BRILLIANT BLUE (BBG) DYE DERIVATIVES AND STAINING COMPOSITIONS COMPRISING THE SAME FOR SELECTIVELY STAINING BIOLOGICAL SUBSTRATES Alfa Instruments S.r.l. (IT) 2020-08-12 EP claimed
WO-2019068935-A1 BRILLIANT BLUE (BBG) DYE DERIVATIVES AND STAINING COMPOSITIONS COMPRISING THE SAME FOR SELECTIVELY STAINING BIOLOGICAL SUBSTRATES ALFA INSTRUMENTS S.R.L. (IT) 2019-04-11 WO claimed
EP-4626870-A1 NONCOVALENT KEAP1-NRF2 SMALL-MOLECULE INHIBITORS University of Copenhagen (DK) 2025-10-08 EP disclosed
EP-4559525-A2 INHIBITING HUMAN INTEGRIN ALPHA4BETA7 Morphic Therapeutic, Inc. (US) 2025-05-28 EP disclosed
EP-4045039-B1 INHIBITING HUMAN INTEGRIN ALPHA4BETA7 MORPHIC THERAPEUTIC INC (US) 2025-04-23 EP disclosed
WO-2024115641-A1 NONCOVALENT KEAP1-NRF2 SMALL-MOLECULE INHIBITORS UNIVERSITY OF COPENHAGEN (DK) 2024-06-06 WO disclosed
US-20240174632-A1 INHIBITING HUMAN INTEGRIN (ALPHA-4) (BETA-7) MORPHIC THERAPEUTIC, INC. (US) 2024-05-30 US disclosed
US-20230331710-A1 HETEROCYCLIC COMPOUND, PREPARATION METHOD AND USE THEREOF SHANGHAI MEIYUE BIOTECH DEVELOPMENT CO. LTD (CN) 2023-10-19 US disclosed
CN-110198928-B Benzyloxy-pyridinyl-cyclopropanecarboxylic acid, pharmaceutical compositions and uses thereof 勃林格殷格翰国际有限公司 2023-08-29 CN disclosed
CN-114057692-B Heterocyclic compound, preparation method and application thereof 上海美悦生物科技发展有限公司 2023-07-21 CN disclosed
CN-1067994-C Bisresorcinyltriazines CIBA GEIGY AG (CH) 2001-07-04 CN disclosed
EP-1089968-A1 THYROID HORMONE ANALOGUES AND METHODS FOR THEIR PREPARATION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2001-04-11 EP disclosed
EP-0991618-A4 SELECTIVE THYROID HORMONE ANALOGS UNIV CALIFORNIA (US) 2000-09-27 EP disclosed
US-6107517-A THYROID HORMONE AGONISTS AND ANTAGONISTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2000-08-22 US disclosed
EP-0991618-A1 SELECTIVE THYROID HORMONE ANALOGS The Regents of the University of California (US) 2000-04-12 EP disclosed
WO-2000000468-A1 THYROID HORMONE ANALOGUES AND METHODS FOR THEIR PREPARATION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2000-01-06 WO disclosed
US-5883294-A THYROID HORMONE AGONIST THE REGEANTS OF THE UNIVERSITY OF CALIFORNIA (US) 1999-03-16 US disclosed
WO-1998057919-A1 SELECTIVE THYROID HORMONE ANALOGS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1998-12-23 WO disclosed
US-5686233-A PHOTOGRAPHIC FILM STABILIZER CIBA-GEIGY CORPORATION (US) 1997-11-11 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 (2 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-20230331710-A1 HETEROCYCLIC COMPOUND, PREPARATION METHOD AND USE THEREOF C9, CFB, C5 ALDH1A1 3003/4885CYP3A4 220/4885HPGD 153/4885
US-20240174632-A1 INHIBITING HUMAN INTEGRIN (ALPHA-4) (BETA-7) ITGB7, ITGB4, ITGA4 ALDH1A1 1165/4885CYP3A4 856/4885HPGD 3884/4885

“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.