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SCHEMBL697167

SCHEMBL697167

Cc1ccccc1C(=O)OC(C(=O)O)C(OC(=O)c1ccccc1C)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.58
▸ TP53 P04637 1/20 0.58
▸ NPC1 O15118 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ UTS2R Q9UKP6 1/20 0.45
▸ HPGD P15428 1/20 0.44
▸ ADRB2 P07550 2/20 0.43
▸ ADRB1 P08588 2/20 0.43
▸ ADRB3 P13945 2/20 0.43
▸ ERCC5 P28715 1/20 0.43
▸ FEN1 P39748 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ ESR1 P03372 1/20 0.43
▸ ESR2 Q92731 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ MAPT P10636 1/20 0.42

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
SCHEMBL31152075 1.00 TSHR (0.58) TSHRTP53NPC1RAB9ASMN1; SMN2
SCHEMBL4179476 1.00 TSHR (0.58) TSHRTP53NPC1RAB9ASMN1; SMN2
SCHEMBL4198767 1.00 TSHR (0.58) TSHRTP53NPC1RAB9ASMN1; SMN2
Water SCHEMBL9888402 0.98 TP53 (0.56) TSHRTP53NPC1RAB9ASMN1; SMN2
SCHEMBL7761627 0.90 TP53 (0.47) TSHRTP53NPC1RAB9ASMN1; SMN2
SCHEMBL6835964 0.84 UTS2R (0.47) TSHRNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL6835364 0.84 SMN1; SMN2 (0.46) TSHRNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL6604532 0.82 HPGD (0.48) TSHRTP53NPC1RAB9ASMN1; SMN2
SCHEMBL277670 0.81 NPC1 (0.56) NPC1RAB9ASMN1; SMN2KDM4EMEN1
SCHEMBL1786549 0.81 SMN1; SMN2 (0.52) TSHRNPC1RAB9ASMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1457487-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE CIS-PIPERIDINE DERIVATIVES Toray Fine Chemicals Co., Ltd. (JP) 2004-09-15 — — EP claimed
US-20040171836-A1 Method for producing optical-active cis-piperidine derivatives TORAY FINE CHEMICALS CO., LTD., A CORPORATION OF JAPAN, (JP) 2004-09-02 — — US claimed
JP-3223236-A — — None — — JP disclosed
CN-117986250-A Method for preparing non-nereirenone by resolution of racemate by diastereoisomeric tartrate 南京威凯尔生物医药科技有限公司 2024-05-07 — — CN disclosed
EP-3710437-B1 ENANTIOMERIC SEPARATION OF RACEMIC NICOTINE BY ADDITION OF AN O,O'-DISUBSTITUTED TARTARIC ACID ENANTIOMER OF LOW OPTICAL PURITY SIEGFRIED AG (CH) 2022-12-14 — — EP disclosed
US-11279685-B2 Enantiomeric separation of racemic nicotine by addition of an O,O″-disubstituted tartaric acid enantiomer SIEGFRIED AG (CH) 2022-03-22 — — US disclosed
EP-3219702-B1 METHOD FOR RESOLUTION OF CITALOPRAM INTERMEDIATE 5-CYANOGEN DIOL ZHEJIANG HUAHAI PHARMACEUTICALS CO LTD (CN) 2021-05-05 — — EP disclosed
US-20200331883-A1 ENANTIOMERIC SEPARATION OF RACEMIC NICOTINE BY ADDITION OF AN O,O'-DISUBSTITUTED TARTARIC ACID ENANTIOMER SIEGFRIED AG (CH) 2020-10-22 — — US disclosed
EP-2423211-B1 PROCESSES FOR PRODUCING (1S,6S)- OR (1R,6R)-CIS-2,8-DIAZABICYCLO[4.3.0]NONANE AND INTERMEDIATE THEREOF KANEKA CORP (JP) 2014-04-16 — — EP disclosed
US-8288569-B2 Carbonyl asymmetric alkylation SANDOZ AG (CH) 2012-10-16 — — US disclosed
EP-2423211-A1 PROCESSES FOR PRODUCING (1S,6S)- OR (1R,6R)-CIS-2,8-DIAZABICYCLO[4.3.0]NONANE AND INTERMEDIATE THEREOF Kaneka Corporation (JP) 2012-02-29 — — EP disclosed
EP-0085811-B1 2-(PHENYLMETHYLENE)CYCLOALKYLAMINES THE UPJOHN COMPANY (US) 1986-05-07 — — EP disclosed
EP-0162690-A2 2-oxa-spirocyclic-benzeneacetamides and benzamides THE UPJOHN COMPANY (US) 1985-11-27 — — EP disclosed
US-4540690-A ANALGESICS, ANTIDEPRESSANTS THE UPJOHN COMPANY (US) 1985-09-10 — — US disclosed
EP-0142361-A2 N-substituted-5-phenyl-4,1-benzoxazepin-2(3H)-ones having therapeutic utility THE UPJOHN COMPANY (US) 1985-05-22 — — EP disclosed
EP-0126612-A1 3,4-Dichloro-N-[2-(2,5-dihydro-1H-pyrrol-1-yl)cyclohexyl]-N-methylbenzeneacetamide THE UPJOHN COMPANY (US) 1984-11-28 — — EP disclosed
US-4481360-A 4H-1,2,4-Triazol-3-yl compounds THE UPJOHN COMPANY (US) 1984-11-06 — — US disclosed
EP-0085811-A1 2-(Phenylmethylene)cycloalkylamines THE UPJOHN COMPANY (US) 1983-08-17 — — EP disclosed
US-4089960-A Antiemetic, psychosomatic and antipsychotic heterocyclic pyridine carboxamides CIBA-GEIGY CORPORATION (US) 1978-05-16 — — US disclosed
US-4089861-A NEUROLEPTIC AGENT HOFFMANN-LA ROCHE, INC. (US) 1978-05-16 — — 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 (3 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-20040171836-A1 Method for producing optical-active cis-piperidine derivatives TYR, DDC, TARBP1 TSHR 1512/4885TP53 1309/4885NPC1 3157/4885
US-20200331883-A1 ENANTIOMERIC SEPARATION OF RACEMIC NICOTINE BY ADDITION OF AN O,O'-DISUBSTITUTED TARTARIC ACID ENANTIOMER CHRNB1, CHRNA1, CHRM1 TSHR 1348/4885TP53 3713/4885NPC1 2122/4885
US-11279685-B2 Enantiomeric separation of racemic nicotine by addition of an O,O″-disubstituted tartaric acid enantiomer CHRNB1, CHRNA1, CHRM1 TSHR 1330/4885TP53 3748/4885NPC1 2108/4885

“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.