SCHEMBL425308

SCHEMBL425308

O=C1CC(c2ccc(Cl)cc2)C1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.58
ALDH1A1 P00352 4/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
ALOX12 P18054 1/20 0.58
HTT P42858 1/20 0.58
HSD17B10 Q99714 1/20 0.58
MAP1LC3B Q9GZQ8 1/20 0.53
MAPT P10636 4/20 0.51
HPGD P15428 2/20 0.51
KMT2A Q03164 2/20 0.51
MAPK1 P28482 2/20 0.51
KDM4E B2RXH2 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
GAA P10253 1/20 0.50
SRD5A1 P18405 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
SCHEMBL1176883 0.91 MAPT (0.63) POLBALDH1A1SMN1; SMN2ALOX12HTT
SCHEMBL6750224 0.89 MAPT (0.61) POLBALDH1A1SMN1; SMN2ALOX12HTT
SCHEMBL444141 0.83 SRD5A1 (0.53) POLBALDH1A1SMN1; SMN2ALOX12HTT
SCHEMBL657724 0.80 POLB (0.53) POLBALDH1A1SMN1; SMN2ALOX12HTT
SCHEMBL718300 0.80 ESR2 (0.50) POLBALDH1A1SMN1; SMN2ALOX12HTT
SCHEMBL1176861 0.79 ALDH1A1 (0.51) POLBALDH1A1SMN1; SMN2ALOX12HTT
SCHEMBL3536658 0.77 ESR2 (0.64) POLBALDH1A1SMN1; SMN2ALOX12HTT
SCHEMBL10672428 0.77 MAPT (0.77) POLBALDH1A1SMN1; SMN2ALOX12HTT
SCHEMBL426339 0.76 MAP1LC3B (0.53) SMN1; SMN2MAP1LC3BMAPTGAAPIM1
SCHEMBL428432 0.76 MAP1LC3B (0.55) POLBSMN1; SMN2MAP1LC3BMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-112805267-B Carboxamide and sulfonamide derivatives as TEAD modulators 豪夫迈·罗氏有限公司 2024-03-08 CN disclosed
WO-2022143771-A1 RORγT MODULATOR, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海医药集团股份有限公司 2022-07-07 WO disclosed
CN-110225911-B Oxadiazolone transient receptor potential channel inhibitors 豪夫迈·罗氏有限公司 2022-04-05 CN disclosed
EP-3544979-B1 OXADIAZOLONES AS TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS HOFFMANN LA ROCHE (CH) 2021-08-04 EP disclosed
EP-3544979-B1 OXADIAZOLONES AS TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS HOFFMANN LA ROCHE (CH) 2021-08-04 EP disclosed
EP-3847154-A1 CARBOXAMIDE AND SULFONAMIDE DERIVATIVES USEFUL AS TEAD MODULATORS F. Hoffmann-La Roche AG (CH) 2021-07-14 EP disclosed
US-20210188775-A1 CARBOXAMIDE AND SULFONAMIDE DERIVATIVES USEFUL AS TEAD MODULATORS GENENTECH, INC. (US) 2021-06-24 US disclosed
US-20210188775-A1 CARBOXAMIDE AND SULFONAMIDE DERIVATIVES USEFUL AS TEAD MODULATORS GENENTECH, INC. (US) 2021-06-24 US disclosed
US-20080280879-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER INC 2008-11-13 US disclosed
US-20080280879-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER INC 2008-11-13 US disclosed
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 disclosed
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 disclosed
US-20040010152-A1 Method of producing optically active lactone compound and complex used in the method KYUSHU UNIVERSITY (JP) 2004-01-15 US disclosed
EP-1352908-A1 Method of producing optically active lactone compound and complex used in the method KYUSHU UNIVERSITY (JP) 2003-10-15 EP disclosed
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 disclosed
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 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 POLB 593/4885ALDH1A1 338/4885SMN1; SMN2 3768/4885
US-20030120091-A1 Method for producing optically active lactone compounds by using salen cobalt complexes having a cis-beta structure SOD1, OAT, SOD3 POLB 730/4885ALDH1A1 691/4885SMN1; SMN2 3252/4885
US-20080280879-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS XDH, CYP2D6, F12 POLB 2797/4885ALDH1A1 3777/4885SMN1; SMN2 4085/4885
US-20210188775-A1 CARBOXAMIDE AND SULFONAMIDE DERIVATIVES USEFUL AS TEAD MODULATORS TEAD2, TEAD1, SULT2A1 POLB 4204/4885ALDH1A1 441/4885SMN1; SMN2 2331/4885

“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.