SCHEMBL3718533

SCHEMBL3718533

O=C1CC(c2ccccc2)CO1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
CTRB1 P17538 1/20 0.50
BRD4 O60885 3/20 0.43
TSHR P16473 2/20 0.41
CYP19A1 P11511 1/20 0.41
LMNA P02545 1/20 0.41
MAP1LC3B Q9GZQ8 1/20 0.40
CTRC Q99895 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL29152238 1.00 GAA (0.50) GAAMAPTCTRB1BRD4TSHR
SCHEMBL13923613 1.00 GAA (0.50) GAAMAPTCTRB1BRD4TSHR
SCHEMBL17073790 0.89 BRD4 (0.49) GAAMAPTCTRB1BRD4MEN1
SCHEMBL13163227 0.84 CTRB1 (0.39) GAAMAPTCTRB1BRD4CYP19A1
SCHEMBL24593954 0.84 CTRB1 (0.39) GAAMAPTCTRB1BRD4
SCHEMBL5239565 0.80 ALDH1A1 (0.46) MAPTLMNAMAP1LC3BMEN1KMT2A
SCHEMBL5233147 0.80 MAP1LC3B (0.42) CYP19A1MAP1LC3B
SCHEMBL9336844 0.80 SRD5A1 (0.46) GAAMAPTCTRB1BRD4TSHR
SCHEMBL909265 0.80 CTRB1 (0.47) GAAMAPTCTRB1BRD4TSHR
SCHEMBL657291 0.78 CTRB1 (0.68) GAAMAPTCTRB1BRD4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115181081-B Synthesis method of beta-phenyl-gamma-butyrolactone 青岛科技大学 2024-05-17 CN claimed
CN-115181081-A Synthesis method of beta-phenyl-gamma-butyrolactone 青岛科技大学 2022-10-14 CN claimed
US-20070130702-A1 Dyeing process using a specific compound containing active methylene and a compound chosen from a specific aldehyde, a specific ketone, a quinone and a diiminoisoindoline or 3-aminoisoindolone derivative L'OREAL S.A. 2007-06-14 US claimed
US-20040225135-A1 Method of producing optically active lactone compound KYUSHA UNIVERSITY (JP) 2004-11-11 US claimed
US-6784302-B2 HIGHER ENANTIOMERIC EXCESS BY USING A SPECIFIED ZIRCONIUM (SALEN) COMPLEX AS CATALYST TO CONDUCT A BAEYER-VILLIGER REACTION OF A CYCLIC KETONE; OXIDATION USING A HYDROGEN PEROXIDE OXIDIZER TO PRODUCE CYCLIC ESTERS KYUSHU UNIVERSITY (JP) 2004-08-31 US claimed
EP-1449840-A1 Method of producing optically active lactone compound Kyushu University (JP) 2004-08-25 EP claimed
US-6713435-B2 SUCH AS B-PHENYL-GAMMA-BUTYLOLACTONE VIA OXIDATION OF CYCLIC KETONE (3-PHENYLCYCLOBUTANONE) WITH HYDROGEN PEROXIDE/UREA HYDROGEN PEROXIDE IN PRESENCE OF COBALT/SALEN COMPLEX AS CATALYST KYUSHU UNIVERSITY (JP) 2004-03-30 US claimed
US-20040010152-A1 Method of producing optically active lactone compound and complex used in the method KYUSHU UNIVERSITY (JP) 2004-01-15 US claimed
EP-1352908-A1 Method of producing optically active lactone compound and complex used in the method KYUSHU UNIVERSITY (JP) 2003-10-15 EP claimed
US-20030120091-A1 Method for producing optically active lactone compounds by using salen cobalt complexes having a cis-beta structure KYUSHU UNIVERSITY (JP) 2003-06-26 US claimed
EP-1288210-A2 A method for producing optically active lactone compounds by using salen cobalt complexes having a CIS-Beta structure KYUSHU UNIVERSITY (JP) 2003-03-05 EP claimed
CN-118562626-B Trichoderma citrinoviride strain capable of producing various furanones and screening culture method and application thereof 江苏今世缘酒业股份有限公司 2025-03-11 CN disclosed
CN-118562626-A Trichoderma citrinoviride strain capable of producing various furanones and screening culture method and application thereof 江苏今世缘酒业股份有限公司 2024-08-30 CN disclosed
CN-115181081-B Synthesis method of beta-phenyl-gamma-butyrolactone 青岛科技大学 2024-05-17 CN disclosed
CN-115181081-B Synthesis method of beta-phenyl-gamma-butyrolactone 青岛科技大学 2024-05-17 CN disclosed
WO-2000038638-A1 DYEING METHOD USING A SPECIFIC ACTIVE METHYLENE COMPOUND AND A COMPOUND SELECTED AMONG A SPECIFIC ALDEHYDE, A SPECIFIC KETONE, A QUINONE AND A DI-IMINO-ISOINDOLINE OR 3-AMINO-ISOINDOLONE DERIVATIVE L'OREAL (FR) 2000-07-06 WO disclosed
CN-1050830-C Hydroxy-substituted azetidinone compounds useful as hypocholesterolemic agents SCHERING CORP (US) 2000-03-29 CN disclosed
CN-1131416-A Hydroxy-substituted azetidinone compounds useful as hypocholesterolemic agents SCHERING CORP (US) 1996-09-18 CN disclosed
CN-1012495-B Preparation method and application of benzoquinone derivative TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1991-05-01 CN disclosed
CN-85105976-A The preparation method of quinone derivatives and purposes 1986-10-22 CN 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 (4 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-20040010152-A1 Method of producing optically active lactone compound and complex used in the method CYC1, CYP11B1, CYP17A1 GAA 381/4885MAPT 3253/4885CTRB1 1321/4885
US-20070130702-A1 Dyeing process using a specific compound containing active methylene and a compound chosen from a specific aldehyde, a specific ketone, a quinone and a diiminoisoindoline or 3-aminoisoindolone derivative KRT18, NDUFB5, NDUFB7 GAA 4054/4885MAPT 685/4885CTRB1 3842/4885
US-20040225135-A1 Method of producing optically active lactone compound PPOX, CYP11B1, CYP17A1 GAA 721/4885MAPT 2958/4885CTRB1 3254/4885
US-20030120091-A1 Method for producing optically active lactone compounds by using salen cobalt complexes having a cis-beta structure SOD1, OAT, SOD3 GAA 618/4885MAPT 2241/4885CTRB1 372/4885

“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.