SCHEMBL7993446

SCHEMBL7993446

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

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.61
GAA P10253 1/20 0.61
CYP2C9 P11712 1/20 0.61
PKM P14618 1/20 0.61
CYP2C19 P33261 1/20 0.61
PPARG P37231 4/20 0.57
PPARA Q07869 4/20 0.57
TDP1 Q9NUW8 1/20 0.56
TBXAS1 P24557 2/20 0.55
ADRB3 P13945 5/20 0.51
EPHX2 P34913 2/20 0.51
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
LTA4H P09960 1/20 0.46

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
SCHEMBL4262556 0.86 CYP1A2 (0.77) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL4650970 0.85 CYP1A2 (0.61) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL14533739 0.85 CYP1A2 (0.61) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL1811398 0.84 CYP1A2 (0.59) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL10207277 0.84 CYP2C9 (0.59) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL11539024 0.84 CYP1A2 (0.59) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL6449049 0.84 CYP1A2 (0.59) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL1125165 0.84 CYP1A2 (0.59) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL13557308 0.82 CYP1A2 (0.57) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL17710847 0.82 CYP1A2 (0.67) CYP1A2GAACYP2C9PKMCYP2C19

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119451974-A Cyclic peptides having antibacterial activity against Multiple Drug Resistant (MDR) pathogens 巴塞罗那全球健康研究所私人基金会 2025-02-14 CN disclosed
EP-3986914-A1 CONSTRAINED PEPTIDES TearSolutions, Inc. (US) 2022-04-27 EP disclosed
US-20120245213-A1 HUMAN TYPE I TASTE RECEPTOR SUBUNIT 3 MODULATORS AND METHODS OF USING SAME MOUNT SINAI SCHOOL OF MEDICINE 2012-09-27 US disclosed
WO-2001027077-A2 HYDROXYSULFONYLALKYLENE-, PHOSPHONOALKYLENE- OR DIFLUORO(PHOSPHONONON)METHYL- SUBSTITUTED BENZENE, OR BENZOFURAN DERIVATIVES AS NON-PEPTIDIC CDC25 INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2001-04-19 WO disclosed
US-5180730-A Pyridylthiomethyl-Substituted Phenols, Antianaphylactic Agents YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1993-01-19 US disclosed
US-4933348-A MEDICINES; ANTAGONISTS OF SLOW REACTING SUBSTANCE OF ANAPHYLAXIS; PROPHYLAXIS AND TREATMENT OF ALLERGIC DISEASES MASE TOSHIYASU (JP) 1990-06-12 US disclosed
US-4803211-A Thiadizazole compounds as antagonists of SRS-A YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1989-02-07 US disclosed
EP-0214732-A2 (Substituted benzyl)-thio heterocyclic compounds having a leukotriene-antagonist activity YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1987-03-18 EP disclosed
US-4039683-A PHENOXYPROPIONIC ACID DERIVATIVES AND PHARMACEUTICAL PREPARATIONS CONTAINING SAME MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1977-08-02 US disclosed
US-3968143-A Phenoxypropionic acid derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1976-07-06 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 (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-20120245213-A1 HUMAN TYPE I TASTE RECEPTOR SUBUNIT 3 MODULATORS AND METHODS OF USING SAME TAS1R3, TAS2R3, TAS1R1 CYP1A2 4546/4885GAA 628/4885CYP2C9 4299/4885

“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.