SCHEMBL262672

SCHEMBL262672

CCC(Br)(C(=O)O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.47
HIF1A Q16665 1/20 0.47
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 1/20 0.44
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
KIF11 P52732 1/20 0.42
KCNN4 O15554 1/20 0.42
DRD2 P14416 1/20 0.42
OPRM1 P35372 1/20 0.42
DRD3 P35462 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 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
Dimethylformamide SCHEMBL28337537 0.87 OPRM1 (0.41) CYP2C19HIF1ACYP1A2MAPTKMT2A
SCHEMBL9220262 0.83 LMNA (0.48) CYP2C19CYP2D6KMT2AKIF11LMNA
SCHEMBL27435020 0.83 CYP2C19 (0.45) CYP2C19HIF1ACYP1A2CYP2D6MAPT
SCHEMBL3138017 0.83 MAPT (0.55) CYP2C19HIF1ACYP1A2CYP2D6MAPT
SCHEMBL10347288 0.81 MIF (0.50) CYP2C19HIF1ACYP1A2CYP2D6MAPT
SCHEMBL6478875 0.79 KIF11 (0.48) CYP2C19HIF1ACYP1A2CYP2D6MAPT
SCHEMBL21659699 0.79 KCNN4 (0.60) CYP2C19HIF1AMAPTKMT2AALDH1A1
SCHEMBL8945728 0.79 CYP1A2 (0.48) CYP2C19HIF1ACYP1A2CYP2D6MAPT
SCHEMBL9254249 0.78 PIN1 (0.53) CYP2D6MAPTKMT2AALDH1A1TSHR
SCHEMBL7899580 0.77 CYP2C19 (0.47) CYP2C19HIF1ACYP1A2CYP2D6MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118768579-A Preparation method and application of monodisperse silver nanoparticles 丽水学院 2024-10-15 CN claimed
WO-2016110571-A1 DENTAL COMPOSITES WITH IMPROVED STORAGE STABILITY IVOCLAR VIVADENT AG (LI) 2016-07-14 WO claimed
CN-101380317-B Pharmaceutical composition for relieving pruritus CAYMAN ISLAND SHANGANSHENG DEV PHARMACEUTICAL CO LTD 2010-12-08 CN claimed
EP-2033635-A1 Short-chain fatty acid derivatives for treating pruritus Asan Laboratories Company (Cayman) Limited (CN) 2009-03-11 EP claimed
CN-101380317-A Pharmaceutical composition for relieving pruritus CAYMAN ISLAND SHANGANSHENG DEV (CN) 2009-03-11 CN claimed
US-20080107646-A1 Administering phenylbutyric acid derivative and pharmaceutically acceptable carrier Sunny Pharmtech Inc. (TW) 2008-05-08 US claimed
US-6403646-B1 ADMINISTERING PHENYLBUTYRIC ACID OR DERIVATIVES TO TREAT LIVER DISEASE AND EMPHYSEMA CAUSED BY PROTEASE INHIBITOR TYPE Z MUTATION; STIMULATES SECRETION WITHOUT INCREASING SYNTHESIS OF PROTEIN PERLMUTTER DAVID H (US) 2002-06-11 US claimed
EP-0520024-B1 QUINOXALINE COMPOUNDS AND THEIR PREPARATION AND USE NOVO NORDISK AS (DK) 1996-06-19 EP claimed
CN-118768579-A Preparation method and application of monodisperse silver nanoparticles 丽水学院 2024-10-15 CN disclosed
CN-115466340-B Photosensitive component and its use in photoinitiated free radical polymerization 东北林业大学 2024-03-26 CN disclosed
CN-114702630-A Lignin-based polymer and preparation method and application thereof 中国林业科学研究院林产化学工业研究所 2022-07-05 CN disclosed
US-11345771-B2 Compositions and methods of promoting organic photocatalysis THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2022-05-31 US disclosed
US-11173145-B2 Compounds useful as inhibitors of indoleamine 2,3-dioxygenase and/or tryptophan dioxygenase BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-11-16 US disclosed
CN-111777540-B Method for synthesizing pyrrolidone compound by continuous light-induced catalysis 南京工业大学 2021-09-24 CN disclosed
EP-0050326-B1 BENZO(B)THIOPHENES HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1986-01-29 EP disclosed
EP-0155981-A2 Derivatives of alkoxythiophenol; alkoxyphenolthio carbamates HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1985-10-02 EP disclosed
US-4537976-A Benzo[b]thiophenes HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1985-08-27 US disclosed
US-4528399-A Benzo[b]thiophenes intermediates HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1985-07-09 US disclosed
EP-0050326-A2 Benzo(b)thiophenes HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1982-04-28 EP disclosed
US-3949023-A PESTICIDE SUMITOMO CHEMICAL CO., LTD. (JA) 1976-04-06 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-11345771-B2 Compositions and methods of promoting organic photocatalysis TYR, ALKBH2, CYBB CYP2C19 389/4885HIF1A 787/4885CYP1A2 276/4885
US-11173145-B2 Compounds useful as inhibitors of indoleamine 2,3-dioxygenase and/or tryptophan dioxygenase TPH2, TPH1, IDO2 CYP2C19 138/4885HIF1A 2929/4885CYP1A2 70/4885

“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.