SCHEMBL3846510

SCHEMBL3846510

C[C@H]1C[C@@H](OC(=O)c2ccccc2C(=O)O[C@@H]2C[C@H](C)CC(C)(C)C2)CC(C)(C)C1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.84
CYP3A4 P08684 3/20 0.84
CYP2C9 P11712 3/20 0.84
LMNA P02545 2/20 0.84
CYP2C19 P33261 2/20 0.84
CYP1A2 P05177 1/20 0.84
NR1I2 O75469 1/20 0.63
ABCB11 O95342 1/20 0.63
GAA P10253 1/20 0.43
CYP2D6 P10635 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
TSHR P16473 2/20 0.41
PTPRF P10586 1/20 0.41
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
HSD17B10 Q99714 1/20 0.41
IDH1 O75874 2/20 0.39
SCN1A P35498 2/20 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
SCHEMBL6905580 1.00 ALDH1A1 (0.84) ALDH1A1CYP3A4CYP2C9LMNACYP2C19
SCHEMBL3846512 1.00 ALDH1A1 (0.84) ALDH1A1CYP3A4CYP2C9LMNACYP2C19
SCHEMBL3846508 1.00 ALDH1A1 (0.84) ALDH1A1CYP3A4CYP2C9LMNACYP2C19
SCHEMBL6907927 1.00 ALDH1A1 (0.84) ALDH1A1CYP3A4CYP2C9LMNACYP2C19
SCHEMBL6908933 1.00 ALDH1A1 (0.84) ALDH1A1CYP3A4CYP2C9LMNACYP2C19
SCHEMBL28268460 0.94 ALDH1A1 (0.76) ALDH1A1CYP3A4CYP2C9LMNACYP2C19
Homosalate SCHEMBL16207 0.91 ALDH1A1 (1.00) ALDH1A1CYP3A4CYP2C9LMNACYP2C19
Homosalate SCHEMBL3634890 0.91 ALDH1A1 (1.00) ALDH1A1CYP3A4CYP2C9LMNACYP2C19
Homosalate SCHEMBL29356436 0.91 ALDH1A1 (1.00) ALDH1A1CYP3A4CYP2C9LMNACYP2C19
Homosalate SCHEMBL2808104 0.90 ALDH1A1 (0.97) ALDH1A1CYP3A4CYP2C9LMNACYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6828368-B2 Useful for the preparation of a heat-sensitive tacky adhesive having excellent adhesive strength and blocking resistance; solid plasticizer DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2004-12-07 US claimed
EP-1298121-A1 BIS(CIS-3,3,5-TRIMETHYLCYCLOHEXYL) PHTHALATE, PROCESS FOR PRODUCING THE SAME, AND THERMOPLASTIC RESIN COMPOSITION Daicel Chemical Industries, Ltd. (JP) 2003-04-02 EP claimed
US-20020193482-A1 Bis(cis-3,3,5-trimethylcyclohexyl) phthalate, process for producing the same, and thermoplastic resin composition DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2002-12-19 US claimed
EP-1586510-B1 DISPLAY STRIP ISHIDA SEISAKUSHO (JP) 2013-07-03 EP disclosed
US-7629044-B2 Display strip ISHIDA CO., LTD. (JP) 2009-12-08 US disclosed
US-20060163183-A1 Display strip ISHIDA CO., LTD. (JP) 2006-07-27 US disclosed
EP-1586510-A1 DISPLAY STRIP Ishida Co., Ltd. (JP) 2005-10-19 EP disclosed
EP-1298121-A4 BIS(CIS-3,3,5-TRIMETHYLCYCLOHEXYL) PHTHALATE, PROCESS FOR PRODUCING THE SAME, AND THERMOPLASTIC RESIN COMPOSITION DAICEL CHEM (JP) 2005-10-05 EP disclosed
CN-1221520-C Bis (cis-3,3,5-trimethylcyclohexyl) phthalate, process for producing the same, and thermoplastic resin composition DAICEL CHEM (JP) 2005-10-05 CN disclosed
US-6828368-B2 Useful for the preparation of a heat-sensitive tacky adhesive having excellent adhesive strength and blocking resistance; solid plasticizer DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2004-12-07 US disclosed
US-6828368-B2 Useful for the preparation of a heat-sensitive tacky adhesive having excellent adhesive strength and blocking resistance; solid plasticizer DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2004-12-07 US disclosed
EP-1298121-A1 BIS(CIS-3,3,5-TRIMETHYLCYCLOHEXYL) PHTHALATE, PROCESS FOR PRODUCING THE SAME, AND THERMOPLASTIC RESIN COMPOSITION Daicel Chemical Industries, Ltd. (JP) 2003-04-02 EP disclosed
US-20020193482-A1 Bis(cis-3,3,5-trimethylcyclohexyl) phthalate, process for producing the same, and thermoplastic resin composition DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2002-12-19 US disclosed
US-20020193482-A1 Bis(cis-3,3,5-trimethylcyclohexyl) phthalate, process for producing the same, and thermoplastic resin composition DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2002-12-19 US disclosed
US-20020193482-A1 Bis(cis-3,3,5-trimethylcyclohexyl) phthalate, process for producing the same, and thermoplastic resin composition DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2002-12-19 US disclosed
CN-1386117-A Bis (cis-3,3,5-trimethylcyclohexyl) phthalate, process for producing the same, and thermoplastic resin composition DAICEL CHEM (JP) 2002-12-18 CN disclosed
WO-2002002502-A1 BIS(CIS-3,3,5-TRIMETHYLCYCLOHEXYL) PHTHALATE, PROCESS FOR PRODUCING THE SAME, AND THERMOPLASTIC RESIN COMPOSITION DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2002-01-10 WO disclosed
JP-2001234151-A AQUEOUS HEAT-SENSITIVE PRESSURE-SENSITIVE ADHESIVE COMPOSITION, HEAT-SENSITIVE PRESSURE-SENSITIVE ADHESIVE SHEET, AND PRODUCTION METHOD FOR HEAT-SENSITIVE PRESSURE-SENSITIVE ADHESIVE SHEET DAICEL CHEM IND LTD 2001-08-28 JP disclosed
EP-0989162-A1 THERMOPLASTIC RESIN COMPOSITION, WATER-BASED COMPOSITION, HEAT-SENSITIVE PRESSURE-SENSITIVE ADHESIVE, AND HEAT-SENSITIVE SHEET Daicel Chemical Industries, Ltd. (JP) 2000-03-29 EP disclosed
JP-2000053874-A THERMOPLASTIC RESIN COMPOSITION, AQUEOUS COMPOSITION, HEAT-SENSITIVE PRESSURE-SENSITIVE ADHESIVE AND HEAT- SENSITIVE PRESSURE-SENSITIVE SHEET DAICEL CHEM IND LTD 2000-02-22 JP 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-20020193482-A1 Bis(cis-3,3,5-trimethylcyclohexyl) phthalate, process for producing the same, and thermoplastic resin composition PSMA3, CDH1, DPY30 ALDH1A1 2057/4885CYP3A4 1863/4885CYP2C9 671/4885

“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.