SCHEMBL976822

SCHEMBL976822

COc1cc(C(=O)O)cc(OC)c1Br

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.67
CA1 P00915 2/20 0.67
CA2 P00918 2/20 0.67
CA4 P22748 2/20 0.67
CA6 P23280 2/20 0.67
CA7 P43166 2/20 0.67
CA9 Q16790 2/20 0.67
CA14 Q9ULX7 2/20 0.67
CA3 P07451 1/20 0.67
PKM P14618 1/20 0.67
CA5A P35218 1/20 0.67
CA5B Q9Y2D0 1/20 0.67
PTGS2 P35354 1/20 0.62
TPMT P51580 3/20 0.59
HTT P42858 3/20 0.55
CNR2 P34972 1/20 0.55
KMT2A Q03164 1/20 0.53
LCK P06239 1/20 0.52
FYN P06241 1/20 0.52
TSHR P16473 4/20 0.50

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
SCHEMBL21821412 0.88 CA12 (0.58) CA12CA1CA2CA4CA6
SCHEMBL15197099 0.88 CA12 (0.58) CA12CA1CA2CA4CA6
SCHEMBL30808277 0.88 CA12 (0.58) CA12CA1CA2CA4CA6
SCHEMBL20742895 0.87 CA12 (0.56) CA12CA1CA2CA4CA6
SCHEMBL18340205 0.87 HTT (0.59) CA12CA1CA2CA4CA6
SCHEMBL2389998 0.83 LMNA (0.67) CA12CA1CA2CA4CA6
SCHEMBL15476001 0.81 RXRA (0.61) KMT2ARAB9A
SCHEMBL731344 0.81 MAPT (0.53) CA12CA1CA2CA4CA6
SCHEMBL985988 0.81 TSHR (0.44) CA12CA1CA2CA4CA6
SCHEMBL1612307 0.81 TSHR (0.68) CA12CA1CA2CA4CA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118184679-A Photothermal agent and preparation method thereof, photothermal nanoparticle and preparation method thereof, insulating material and self-repairing method of insulating material 中国石油天然气股份有限公司 2024-06-14 CN claimed
CN-112321416-A Method for synthesizing bromocriptine intermediate 4-bromo-3, 5-dimethoxybenzoic acid 李小军 2021-02-05 CN claimed
CN-1746144-A Preparation of 4-bromine-3,5-dimethoxybenzoic alcohol LUZHOU PHARMACEUTICAL CO LTD D (CN) 2006-03-15 CN claimed
CN-122029153-A Aromatic hydrocarbon receptor modulator compound, and preparation method and application thereof 德明药泰生物技术(深圳)有限公司 2026-05-12 CN disclosed
US-20250381168-A1 VLA4 INHIBITORS AND USES THEREOF WASHINGTON UNIVERSITY ST LOUIS (US) 2025-12-18 US disclosed
US-12435066-B2 Substituted tricyclic compounds LUPIN LIMITED (IN) 2025-10-07 US disclosed
WO-2025136811-A1 CHEMICAL COMPOUNDS AND USES THEREOF IDEAYA BIOSCIENCES, INC. (US) 2025-06-26 WO disclosed
US-12338203-B2 Urea compound for antagonizing LPA1 receptor TAISHO PHARMACEUTICAL CO., LTD. (JP) 2025-06-24 US disclosed
WO-2025092989-A1 SUBSTITUTED QUINAZOLINE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMBINATION THEREOF, AND USE THEREOF 泰州红云制药有限公司 2025-05-08 WO disclosed
WO-2025082312-A1 AROMATIC HYDROCARBON RECEPTOR MODULATOR COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 德明药泰生物技术(深圳)有限公司 2025-04-24 WO disclosed
CN-119823001-A Urea compounds antagonizing LPA1 receptor 大正制药株式会社 2025-04-15 CN disclosed
EP-1403250-A1 BIS(5-ARYL-2-PYRIDYL) DERIVATIVE Kowa Co., Ltd. (JP) 2004-03-31 EP disclosed
US-6706703-B2 BIS(5-ARYL-2-PYRIDYL) COMPOUND HAVING EXCELLENT IMMUNOGLOBULIN (IGE) ANTIBODY PRODUCTION INHIBITING ACTIVITY, USEFUL FOR THE PREVENTION OR TREATMENT OF ALLERGIC IMMUNE DISEASES KOWA CO., LTD. (JP) 2004-03-16 US disclosed
WO-2003104213-A1 PREPARATION PROCESS OF BIPHENYLCARBOXYLIC ACID AMIDE DERIVATIVES KOWA CO., LTD. (JP) 2003-12-18 WO disclosed
US-20030232992-A1 Preparation process of biphenylcarboxylic acid amide derivatives KOWA CO., LTD. (JP) 2003-12-18 US disclosed
US-20030027814-A1 Bis(5-aryl-2-pyridyl) derivatives KOWA CO., LTD. (JP) 2003-02-06 US disclosed
EP-0687249-A1 BALANOIDS ELI LILLY AND COMPANY (US) 1995-12-20 EP disclosed
WO-1994020062-A2 BALANOIDS AS PROTEIN KINASE C INHIBITORS ELI LILLY AND COMPANY (US) 1994-09-15 WO disclosed
US-4076810-A Benzylpyrimidine antibacterial composition HOFFMANN-LA ROCHE INC. (US) 1978-02-28 US disclosed
US-4024145-A Benzylpyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 1977-05-17 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 (5 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-12338203-B2 Urea compound for antagonizing LPA1 receptor LPAR1, LPAR2, LPAR3 CA12 4211/4885CA1 3476/4885CA2 2098/4885
US-20030027814-A1 Bis(5-aryl-2-pyridyl) derivatives AHR, PAH, H1-0 CA12 4529/4885CA1 4598/4885CA2 2662/4885
US-20030232992-A1 Preparation process of biphenylcarboxylic acid amide derivatives CD22, C9, FCGR1A CA12 157/4885CA1 37/4885CA2 42/4885
US-12435066-B2 Substituted tricyclic compounds SOS1, RSU1, KSR1 CA12 3964/4885CA1 2843/4885CA2 1678/4885
US-20250381168-A1 VLA4 INHIBITORS AND USES THEREOF CXCR4, SDF4, ITGB4 CA12 2667/4885CA1 3154/4885CA2 4405/4885

“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.