SCHEMBL111313

SCHEMBL111313

CC(=O)Nc1ccc(Br)cc1C(=O)O

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.76
▸ KDM4E B2RXH2 4/20 0.65
▸ HSD17B10 Q99714 1/20 0.65
▸ POLB P06746 1/20 0.61
▸ TDP1 Q9NUW8 3/20 0.59
▸ AKR1C2 P52895 3/20 0.57
▸ AKR1C3 P42330 2/20 0.57
▸ AKR1C1 Q04828 2/20 0.57
▸ AKR1C4 P17516 1/20 0.57
▸ APEX1 P27695 1/20 0.55
▸ HTT P42858 1/20 0.54
▸ MEN1 O00255 5/20 0.54
▸ KMT2A Q03164 5/20 0.54
▸ METAP2 P50579 1/20 0.52
▸ TRPM2 O94759 1/20 0.51
▸ KCNK2 O95069 1/20 0.51
▸ KCNK10 P57789 1/20 0.51
▸ MAPT P10636 3/20 0.50
▸ ABL1 P00519 1/20 0.50
▸ TSHR P16473 1/20 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
Maleic Acid SCHEMBL27543075 0.92 ALDH1A1 (0.66) ALDH1A1KDM4EHSD17B10POLBTDP1
SCHEMBL796957 0.87 ALDH1A1 (0.73) ALDH1A1KDM4EHSD17B10POLBTDP1
SCHEMBL3915465 0.86 ALDH1A1 (0.61) ALDH1A1KDM4EHSD17B10POLBAKR1C2
SCHEMBL26170005 0.84 ALDH1A1 (0.69) ALDH1A1KDM4EHSD17B10POLBTDP1
SCHEMBL29144725 0.84 ALDH1A1 (0.59) ALDH1A1KDM4EHSD17B10POLBAKR1C2
SCHEMBL7532175 0.83 POLB (0.68) ALDH1A1KDM4EPOLBTDP1AKR1C2
SCHEMBL14339913 0.83 POLB (0.56) ALDH1A1KDM4EHSD17B10POLBTDP1
SCHEMBL5899451 0.83 ALDH1A1 (0.67) ALDH1A1KDM4EHSD17B10POLBHTT
SCHEMBL11827919 0.82 MAPT (0.76) ALDH1A1POLBHTTMEN1KMT2A
SCHEMBL7544693 0.82 KDM4E (0.59) ALDH1A1KDM4EPOLBTDP1AKR1C2

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 44 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-113912487-B Synthesis method of 2, 5-dihalobenzoic acid 山东研峰新材料科技有限公司 2024-05-28 — — CN claimed
CN-113912487-A Synthesis method of 2, 5-bis-halogenated benzoic acid 山东研峰新材料科技有限公司 2022-01-11 — — CN claimed
EP-1377589-B1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA SPA (IT) 2005-09-07 — — EP claimed
CN-118420455-A Preparation method of 2-chloro-5-bromobenzoic acid 枣庄市润安制药新材料有限公司 2024-08-02 — — CN disclosed
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 disclosed
CN-113912487-B Synthesis method of 2, 5-dihalobenzoic acid 山东研峰新材料科技有限公司 2024-05-28 — — CN disclosed
CN-113912487-A Synthesis method of 2, 5-bis-halogenated benzoic acid 山东研峰新材料科技有限公司 2022-01-11 — — CN disclosed
US-9561201-B2 Therapeutic compounds FIBROTECH THERAPEUTICS PTY LTD (AU) 2017-02-07 — — US disclosed
US-20140357628-A1 THERAPEUTIC COMPOUNDS FIBROTECH THERAPEUTICS PTY LTD (AU) 2014-12-04 — — US disclosed
US-8624056-B2 Halogenated analogues of anti-fibrotic agents FIBROTECH THERAPEUTICS PTY LTD 2014-01-07 — — US disclosed
US-8299023-B2 Neuropeptide-2 receptor (Y-2R) agonists HOFFMANN-LA ROCHE INC. (US) 2012-10-30 — — US disclosed
US-20030008893-A1 Modulators of chemokine receptor activity COLON-CRUZ ROBERTO (US) 2003-01-09 — — US disclosed
US-6479548-B2 P-(BENZOYLAMINO)STILBENE DERIVATIVES TELIK, INC. 2002-11-12 — — US disclosed
WO-2002070523-A1 MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY PFIZER PRODUCTS INC. (US) 2002-09-12 — — WO disclosed
US-20020032218-A1 Substituted stilbenes as glucose uptake enhancers TELIK, INC. 2002-03-14 — — US disclosed
WO-2001094295-A1 SUBSTITUTED STILBENES AS GLUCOSE UPTAKE ENHANCERS TELIK, INC. (US) 2001-12-13 — — WO disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 — — EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 — — WO disclosed
US-4307113-A TREATMENT OF DIABETES SANDOZ, INC. (US) 1981-12-22 — — 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 (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-20140357628-A1 THERAPEUTIC COMPOUNDS NFATC1, AADAC, NAT1 ALDH1A1 201/4885KDM4E 1605/4885HSD17B10 2237/4885
US-20030008893-A1 Modulators of chemokine receptor activity CCR1, CCR3, CCR2 ALDH1A1 1764/4885KDM4E 4790/4885HSD17B10 2587/4885
US-20020032218-A1 Substituted stilbenes as glucose uptake enhancers SLC2A1, SLC2A8, SLC2A2 ALDH1A1 1811/4885KDM4E 3079/4885HSD17B10 1302/4885

“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.

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