SCHEMBL2823017

SCHEMBL2823017

Cc1ccc(O)c(B(O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.56
TP53 P04637 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
ALOX15 P16050 2/20 0.50
HSD17B10 Q99714 2/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 4/20 0.48
MAPT P10636 2/20 0.48
MEN1 O00255 1/20 0.48
GAA P10253 1/20 0.48
HPGD P15428 1/20 0.48
ALOX12 P18054 1/20 0.48
KMT2A Q03164 1/20 0.48
CSNK2A1 P68400 1/20 0.45
CA2 P00918 1/20 0.44
LPL P06858 1/20 0.44
LIPG Q9Y5X9 1/20 0.44
AMY1A P0DUB6 1/20 0.42
CHRM1 P11229 1/20 0.41
SLC6A2 P23975 1/20 0.41

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
SCHEMBL29953635 1.00 TRPA1 (0.56) TRPA1TP53TDP1ALOX15HSD17B10
SCHEMBL12394515 0.83 TRPA1 (0.54) TRPA1TP53TDP1ALOX15HSD17B10
SCHEMBL1684521 0.80 TRPA1 (0.56) TRPA1TP53TDP1ALOX15HSD17B10
SCHEMBL7776306 0.80 TRPA1 (0.56) TRPA1TP53TDP1ALOX15HSD17B10
SCHEMBL3460112 0.77 ALDH1A1 (0.44) TP53TDP1ALOX15HSD17B10ALDH1A1
SCHEMBL29349417 0.77 CA2 (0.46) TRPA1TP53TDP1ALOX15HSD17B10
SCHEMBL513136 0.77 CA2 (0.46) TRPA1TP53TDP1ALOX15HSD17B10
SCHEMBL16426121 0.75 ENPP2 (0.46) ALDH1A1CA2LPLLIPGKDM4E
SCHEMBL1372258 0.73 CA2 (0.42) TRPA1TP53TDP1ALOX15HSD17B10
SCHEMBL391628 0.73 CA2 (0.42) TRPA1TP53TDP1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116731315-B Boron-containing phthalonitrile resin and preparation method and application thereof 中国科学院化学研究所 2024-06-21 CN claimed
CN-117368168-A Application of boron-oxygen hexacyclic compound in detecting concentration of fluoride ions in aqueous solution 大连工业大学 2024-01-09 CN claimed
CN-116731315-A Boron-containing phthalonitrile resin and preparation method and application thereof 中国科学院化学研究所 2023-09-12 CN claimed
WO-2025227032-A1 METHODS FOR DEGRADATION OF CYCLIN K AND INHIBITION OF CYCLIN DEPENDENT KINASES REMIX THERAPEUTICS INC. (US) 2025-10-30 WO disclosed
CN-119613428-A Preparation method of high-sensitivity reversible thermochromic fluorane dye and compound 江南大学 2025-03-14 CN disclosed
CN-116731315-B Boron-containing phthalonitrile resin and preparation method and application thereof 中国科学院化学研究所 2024-06-21 CN disclosed
US-20240009212-A1 PHOSPHAPLATIN COMPOUNDS AS THERAPEUTIC AGENTS SELECTIVELY TARGETING HIGHLY GLYCOLYTIC TUMOR CELLS AND METHODS THEREOF PROMONTORY THERAPEUTICS INC. (US) 2024-01-11 US disclosed
CN-117368168-A Application of boron-oxygen hexacyclic compound in detecting concentration of fluoride ions in aqueous solution 大连工业大学 2024-01-09 CN disclosed
CN-116731315-A Boron-containing phthalonitrile resin and preparation method and application thereof 中国科学院化学研究所 2023-09-12 CN disclosed
US-11697657-B2 Small molecule inhibitors of KRAS G12C mutant MERCK SHARP & DOHME LLC (US) 2023-07-11 US disclosed
US-20220324880-A1 SMARCA INHIBITORS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2022-10-13 US disclosed
US-6177419-B1 ANTIOXIDANT CHELATE COMPOUNDS FOR PREVENTING OXYGEN FREE RADICAL-ASSOCIATED DISEASES IN MAMMALS; NEUROPROTECTANTS, SUPEROXIDE DISMUTASE (SOD), CATALASE (CAT) AND/OR PEROXIDASE (POD) MIMETICS EUKARION, INC. 2001-01-23 US disclosed
WO-2000009512-A2 BIPYRIDINE MANGANESE COMPLEXES EUKARION, INC. (US) 2000-02-24 WO disclosed
EP-0758243-A4 BINDING OF E-SELECTIN, P-SELECTIN OR L-SELECTIN TO SIALYL-LEWISx OR SIALYL-LEWISa TEXAS BIOTECHNOLOGY CORP (US) 1997-08-20 EP disclosed
EP-0758243-A1 BINDING OF E-SELECTIN, P-SELECTIN OR L-SELECTIN TO SIALYL-LEWISx OR SIALYL-LEWISa TEXAS BIOTECHNOLOGY CORPORATION (US) 1997-02-19 EP disclosed
WO-1995029682-A1 BINDING OF E-SELECTIN, P-SELECTIN OR L-SELECTIN TO SIALYL-LEWISx OR SIALYL-LEWIS?a¿ TEXAS BIOTECHNOLOGY CORPORATION (US) 1995-11-09 WO disclosed
EP-0462980-A4 PLATINUM PHARMACEUTICAL AGENTS 1992-03-11 EP disclosed
EP-0462980-A1 PLATINUM PHARMACEUTICAL AGENTS GEORGETOWN UNIVERSITY (US) 1992-01-02 EP disclosed
US-4946954-A ANTICARCINOGENIC AGENTS GEORGETOWN UNIVERSITY (US) 1990-08-07 US disclosed
WO-1990008157-A1 PLATINUM PHARMACEUTICAL AGENTS GEORGETOWN UNIVERSITY (US) 1990-07-26 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 (3 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-20240009212-A1 PHOSPHAPLATIN COMPOUNDS AS THERAPEUTIC AGENTS SELECTIVELY TARGETING HIGHLY GLYCOLYTIC TUMOR CELLS AND METHODS THEREOF PHGDH, HIF1A, HIF1AN TRPA1 2939/4885TP53 107/4885TDP1 3095/4885
US-20220324880-A1 SMARCA INHIBITORS AND USES THEREOF SMARCA1, SMARCE1, PBRM1 TRPA1 4874/4885TP53 858/4885TDP1 1583/4885
US-11697657-B2 Small molecule inhibitors of KRAS G12C mutant KRAS, NRAS, HRAS TRPA1 4550/4885TP53 4/4885TDP1 4045/4885

“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.