SCHEMBL6909186

SCHEMBL6909186

C[C@H]1C[C@H](OC(=O)c2ccc(C(=O)O[C@H]3C[C@H](C)CC(C)(C)C3)cc2)CC(C)(C)C1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.68
CYP2C19 P33261 2/20 0.68
ALDH1A1 P00352 1/20 0.68
CYP3A4 P08684 1/20 0.68
CYP1A2 P05177 1/20 0.68
CYP2C9 P11712 1/20 0.68
NR1I2 O75469 1/20 0.57
ABCB11 O95342 1/20 0.57
GAA P10253 1/20 0.48
TSHR P16473 1/20 0.43
POLB P06746 1/20 0.42
SCN1A P35498 2/20 0.41
SCN2A Q99250 2/20 0.41
SCN3A Q9NY46 2/20 0.41
PTPN2 P17706 3/20 0.41
PTPN1 P18031 3/20 0.41
PTPRF P10586 1/20 0.41
CYP2D6 P10635 1/20 0.40
CHRNA7 P36544 2/20 0.40
IDH1 O75874 1/20 0.40

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
SCHEMBL6910050 1.00 LMNA (0.68) LMNACYP2C19ALDH1A1CYP3A4CYP1A2
SCHEMBL6909183 1.00 LMNA (0.68) LMNACYP2C19ALDH1A1CYP3A4CYP1A2
SCHEMBL6910054 1.00 LMNA (0.68) LMNACYP2C19ALDH1A1CYP3A4CYP1A2
SCHEMBL6910053 1.00 LMNA (0.68) LMNACYP2C19ALDH1A1CYP3A4CYP1A2
SCHEMBL13894203 0.92 LMNA (0.71) LMNACYP2C19ALDH1A1CYP3A4CYP1A2
SCHEMBL3226422 0.90 LMNA (0.60) LMNACYP2C19ALDH1A1CYP3A4CYP1A2
SCHEMBL9012418 0.86 LMNA (0.53) LMNACYP2C19ALDH1A1CYP3A4CYP1A2
SCHEMBL3846512 0.86 ALDH1A1 (0.84) LMNACYP2C19ALDH1A1CYP3A4CYP1A2
SCHEMBL3846508 0.86 ALDH1A1 (0.84) LMNACYP2C19ALDH1A1CYP3A4CYP1A2
SCHEMBL6905580 0.86 ALDH1A1 (0.84) LMNACYP2C19ALDH1A1CYP3A4CYP1A2

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 4 patents. 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 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
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

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 LMNA 3797/4885CYP2C19 1506/4885ALDH1A1 2057/4885

“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.