Sugi Predict

Sugi Predict / Compounds / SCHEMBL334419

SCHEMBL334419

SCHEMBL334419

O=C(O)c1cccc(CCO)c1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 2/20 0.64
▸ CYP4A11 Q02928 2/20 0.64
▸ FOLH1 Q04609 4/20 0.63
▸ ACMSD Q8TDX5 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.52
▸ CYP2D6 P10635 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ HIF1A Q16665 1/20 0.51
▸ ANPEP P15144 1/20 0.51
▸ ENPEP Q07075 1/20 0.51
▸ DHODH Q02127 1/20 0.51
▸ MEP1B Q16820 1/20 0.50
▸ KMT2A Q03164 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
Hydrochloric Acid SCHEMBL11527299 0.98 CYP4F2 (0.62) CYP4F2CYP4A11FOLH1ACMSDTDP1
SCHEMBL27897808 0.90 CYP4F2 (0.58) CYP4F2CYP4A11FOLH1ANPEPENPEP
SCHEMBL371526 0.90 FOLH1 (0.70) FOLH1CYP2D6CYP2C9HIF1AANPEP
SCHEMBL5473039 0.89 CYP4F2 (0.62) CYP4F2CYP4A11FOLH1CYP2D6CYP2C9
SCHEMBL5280086 0.87 CYP4F2 (0.67) CYP4F2CYP4A11FOLH1CYP2D6CYP2C9
SCHEMBL30395109 0.86 FOLH1 (0.66) FOLH1CYP2D6CYP2C9HIF1AANPEP
SCHEMBL1817886 0.86 FOLH1 (0.66) FOLH1CYP2D6CYP2C9HIF1AANPEP
SCHEMBL16559877 0.86 FOLH1 (0.66) CYP4F2CYP4A11FOLH1TDP1CYP2D6
SCHEMBL19301510 0.85 CYP4F2 (0.65) CYP4F2CYP4A11FOLH1CYP2D6CYP2C9
SCHEMBL27705266 0.85 FOLH1 (0.59) FOLH1CYP2D6CYP2C9HIF1AANPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113121578-B Preparation method of benzoborazole compound 中国科学院福建物质结构研究所 2022-12-06 — — CN claimed
CN-113121578-A Preparation method of benzoborazole compound 中国科学院福建物质结构研究所 2021-07-16 — — CN claimed
CN-111194206-A Composition containing benzoic acid derivatives or furoic acid derivatives and use of the derivatives for emulsion and foam stability 西姆莱斯股份公司 2020-05-22 — — CN claimed
CN-113121578-B Preparation method of benzoborazole compound 中国科学院福建物质结构研究所 2022-12-06 — — CN disclosed
US-20220332726-A1 NITROXIDE DERIVATIVE OF ROCK KINASE INHIBITOR VIVAVISION (SHANGHAI) LTD (CN) 2022-10-20 — — US disclosed
CN-109475120-B Antimicrobial compositions 西姆莱斯股份公司 2022-03-29 — — CN disclosed
CN-109563094-B (hetero) aryl-substituted piperidinyl derivatives, process for their preparation and pharmaceutical compositions containing them 法国施维雅药厂 2022-03-18 — — CN disclosed
EP-3901156-A1 NITROOXYDERIVATIVE OF ROCK KINASE INHIBITOR Vivavision (Shanghai) Ltd (CN) 2021-10-27 — — EP disclosed
CN-111217834-B Nitroxide derivatives of ROCK kinase inhibitors 维眸生物科技（上海）有限公司 2021-10-26 — — CN disclosed
CN-113121578-A Preparation method of benzoborazole compound 中国科学院福建物质结构研究所 2021-07-16 — — CN disclosed
CN-106565674-B Octahydrocyclopenta [ c ] pyrrole derivative, preparation method and medical application thereof 四川海思科制药有限公司 2021-02-05 — — CN disclosed
US-20050209334-A1 method of treating cancer using benzoic acid derivatives, alone or in combination with standard treatments such as chemotherapy and radiotherapy methods of screening for benzoic derivatives based on their ability to inhibit the enzyme tyrosinase or to bind to and activate PXR/SXR xenobiotic receptors. NEW YORK UNIVERSITY (US) 2005-09-22 — — US disclosed
EP-1275670-B1 OLEFIN BLOCK COPOLYMERS, PRODUCTION PROCESSES OF THE SAME AND USE THEREOF MITSUI CHEMICALS INC (JP) 2005-08-10 — — EP disclosed
WO-2005070024-A2 TREATMENT OF CANCER USING BENZOIC ACID DERIVATIVES NEW YORK UNIVERSITY (US) 2005-08-04 — — WO disclosed
US-20030055179-A1 Olefin block copolymers processes for producing the same and uses thereof MITSUI CHEMICALS, INC. (JP) 2003-03-20 — — US disclosed
EP-1275670-A1 OLEFIN BLOCK COPOLYMERS, PRODUCTION PROCESSES OF THE SAME AND USE THEREOF Mitsui Chemicals, Inc. (JP) 2003-01-15 — — EP disclosed
CN-1332711-A Vitamin D analogues GALDERMA RES & DEV (FR) 2002-01-23 — — CN disclosed
EP-1144415-A2 FUNCTIONALIZED HETEROCYCLES AS CHEMOKINE RECEPTOR MODULATORS WARNER-LAMBERT COMPANY (US) 2001-10-17 — — EP disclosed
WO-2000042045-A2 FUNCTIONALIZED HETEROCYCLES AS CHEMOKINE RECEPTOR MODULATORS WARNER-LAMBERT COMPANY (US) 2000-07-20 — — WO disclosed
US-4250296-A SULFO-CONTAINING POLYESTER REACTED WITH AN ETHERIFIED OR ESTERIFIED POLYOXYETHYLENE GLYCOL CASSELLA AKTIENGESELLSCHAFT (DE) 1981-02-10 — — 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-20050209334-A1 method of treating cancer using benzoic acid derivatives, alone or in combination with standard treatments such as chemotherapy and radiotherapy methods of screening for benzoic derivatives based on their ability to inhibit the enzyme tyrosinase or to bind to and activate PXR/SXR xenobiotic receptors. AHR, TYR, CYP4X1 CYP4F2 128/4885CYP4A11 75/4885FOLH1 528/4885
US-20220332726-A1 NITROXIDE DERIVATIVE OF ROCK KINASE INHIBITOR ROCK1, NOS1, ROCK2 CYP4F2 1652/4885CYP4A11 310/4885FOLH1 4246/4885

“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.