SCHEMBL577068

SCHEMBL577068

CCC(=O)Oc1ccc(CC(C)C)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 3/20 0.57
▸ HIF1A Q16665 2/20 0.57
▸ KMT2A Q03164 3/20 0.56
▸ RECQL P46063 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ ALOX15 P16050 1/20 0.53
▸ PTGS2 P35354 4/20 0.52
▸ ELANE P08246 1/20 0.51
▸ PTGS1 P23219 3/20 0.47
▸ LMNA P02545 2/20 0.47
▸ CYP2C9 P11712 2/20 0.47
▸ AKR1C3 P42330 2/20 0.47
▸ CXCR1 P25024 2/20 0.47
▸ CXCR2 P25025 2/20 0.47
▸ ALB P02768 1/20 0.47
▸ ALOX5 P09917 1/20 0.47
▸ RARB P10826 1/20 0.47
▸ ADRB3 P13945 1/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ HTR2A P28223 1/20 0.47

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
SCHEMBL19971604 0.98 ESR1 (0.56) ESR1HIF1AKMT2ARECQLSMN1; SMN2
SCHEMBL27655928 0.98 ESR1 (0.56) ESR1HIF1AKMT2ARECQLSMN1; SMN2
Hydrochloric Acid SCHEMBL25299360 0.98 ESR1 (0.56) ESR1HIF1AKMT2ARECQLSMN1; SMN2
SCHEMBL27874664 0.98 ESR1 (0.56) ESR1HIF1AKMT2ARECQLSMN1; SMN2
Water SCHEMBL27360793 0.97 ESR1 (0.54) ESR1HIF1AKMT2ARECQLSMN1; SMN2
SCHEMBL9525088 0.86 SLC6A4 (0.56) ESR1HIF1AKMT2ARECQLSMN1; SMN2
SCHEMBL237613 0.83 PTGS2 (0.56) ESR1PTGS2PTGS1LMNACYP2C9
SCHEMBL10442969 0.83 PTGS2 (0.50) ESR1PTGS2PTGS1LMNACYP2C9
SCHEMBL312147 0.82 KMT2A (0.76) ESR1HIF1AKMT2ARECQLSMN1; SMN2
SCHEMBL11201814 0.82 ALOX15 (0.58) KMT2ASMN1; SMN2ALOX15PTGS2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4222139-A1 TOPICAL ADMINISTRATION OF 2- (DIETHYLAMINO) ETHYL 2- (4-ISOBUTYLPHENYL) PROPIONATE FOR TREATMENT OF DISEASES TECHFIELDS INC. (US) 2023-08-09 — — EP claimed
WO-2023134733-A1 TREATMENT OF SIGNS, SYMPTOMS AND/OR COMPLICATIONS OF VIRAL, BACTERIAL, PROTOZOAL, AND/OR FUNGAL INFECTIONS BY HIGH PENETRATION PRODRUGS TECHFIELDS PHARMA CO., LTD. (CN) 2023-07-20 — — WO claimed
CN-115974936-A Preparation method and application of high-valence nickel catalyst for acetylene hydrochlorination 绍兴七轩新材料科技有限公司 2023-04-18 — — CN claimed
US-20180311186-A1 PHARMACEUTICAL FORMULATION FOR BEDWETTING AND METHOD OF USE THEREOF WELLESLEY PHARMACEUTICALS, LLC 2018-11-01 — — US claimed
US-20180296676-A1 PHARMACEUTICAL FORMULATION FOR REDUCING BLADDER SPASMS AND METHOD OF USE THEREOF WELLESLEY PHARMACEUTICALS, LLC 2018-10-18 — — US claimed
CN-107793307-A The derivative of tetrahydro-iso-humulone, method of manufacture and use thereof 金戴克斯医药有限责任公司 2018-03-13 — — CN claimed
CN-106619676-A Painkiller for relieving toothache 郑州郑先医药科技有限公司 2017-05-10 — — CN claimed
CN-103003228-B Compounds based on ibuprofen, preparation methods, uses and pharmaceutical preparation thereof HOU WENGE 2015-03-25 — — CN claimed
CN-103254070-B Method for preparing 2-(4-isobutylphenyl)propionate from 1-(4-isobutylphenyl)ethanol UNIV QINGDAO SCIENCE & TECHNOLOGY 2014-11-05 — — CN claimed
CN-103254070-A Method for preparing 2-(4-isobutylphenyl)propionate from 1-(4-isobutylphenyl)ethanol UNIV QINGDAO SCIENCE & TECHNOLOGY 2013-08-21 — — CN claimed
CN-103003228-A Compounds based on ibuprofen, preparation methods, uses and pharmaceutical preparation thereof HEILONGJIANG BAOQINGLONG BIOTECHNOLOGY CO LTD 2013-03-27 — — CN claimed
CN-102388014-A Synthesis method of chiral alpha-aryl propionic acid derivative DSM IP ASSETS BV 2012-03-21 — — CN claimed
EP-2418200-A1 PHTHALIMIDE DERIVATIVES OF NON-STEROIDAL ANTI-INFLAMMATORY COMPOUNDS AND/OR TNF- MODULATORS, METHOD FOR PRODUCING SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND USES THEREOF FOR THE TREATMENT OF INFLAMMATORY DISEASES EMS S. A. (BR) 2012-02-15 — — EP claimed
US-20070066571-A1 Novel bisphosphonates having anti-inflammatory and/or pain-killing properties STOCKEL RICHARD F 2007-03-22 — — US claimed
CN-1625411-A Combination of a NSAID and a PDE-4 inhibitor ALTANA PHARMA AG (DE) 2005-06-08 — — CN claimed
WO-2002072037-A1 TOPICAL DERMAL ANAESTHETIC VAN ENGELEN H WAYNE (US) 2002-09-19 — — WO claimed
US-20020094343-A1 TOPICAL DERMAL ANAESTHETIC PATTERSON, RICHARD 2002-07-18 — — US claimed
US-6416772-B1 Topical dermal anaesthetic PATTERSON, RICHARD 2002-07-09 — — US claimed
CN-115959993-B Synthesis method of 2-aryl propionic acid compound 山东中医药大学 2025-01-07 — — CN disclosed
US-3988333-A Tri-substituted aluminum salts or di-substituted aluminum salts of carboxyl group-containing, pharmaceutically effective compounds TEIKOKU HORMONE MFG. CO., LTD. (JA) 1976-10-26 — — 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 (1 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-20070066571-A1 Novel bisphosphonates having anti-inflammatory and/or pain-killing properties ENPP2, CD47, SOST ESR1 1284/4885HIF1A 1691/4885KMT2A 4761/4885

“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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