SCHEMBL6906600

SCHEMBL6906600

CC(C)(C)C1(OC(=O)c2ccccc2C(=O)OC2(C(C)(C)C)CCCCC2)CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 6/20 0.38
▸ HSD11B1 P28845 1/20 0.38
▸ SCN1A P35498 2/20 0.37
▸ SCN2A Q99250 2/20 0.37
▸ SCN3A Q9NY46 2/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ TDP1 Q9NUW8 2/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ P2RX7 Q99572 1/20 0.34
▸ CYP3A4 P08684 2/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ ELANE P08246 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ MAPK1 P28482 1/20 0.33

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
SCHEMBL23383175 0.78 ADRA1A (0.34) TSHRHSD11B1SCN1ASCN2ASCN3A
SCHEMBL31192379 0.77 SCN1A (0.52) TSHRSCN1ASCN2ASCN3AALDH1A1
SCHEMBL304215 0.77 SCN1A (0.52) TSHRSCN1ASCN2ASCN3AALDH1A1
SCHEMBL23383176 0.76 SCN1A (0.43) TSHRHSD11B1SCN1ASCN2ASCN3A
SCHEMBL3411398 0.75 SCN1A (0.54) TSHRSCN1ASCN2ASCN3AALDH1A1
SCHEMBL31077823 0.75 SCN1A (0.54) TSHRSCN1ASCN2ASCN3AALDH1A1
SCHEMBL25433077 0.75 TSHR (0.39) TSHRSCN1ASCN2ASCN3AALDH1A1
SCHEMBL6400043 0.73 TSHR (0.42) TSHRSCN1ASCN2ASCN3AALDH1A1
SCHEMBL6400218 0.73 TSHR (0.46) TSHRSCN1ASCN2ASCN3AALDH1A1
SCHEMBL156352 0.72 — —

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 3 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

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 TSHR 3800/4885HSD11B1 1549/4885SCN1A 2792/4885

“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.

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