SCHEMBL12902872

SCHEMBL12902872

CCC(C)C(=O)OC1(C)CCOCC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.33
ALDH1A1 P00352 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
RECQL P46063 1/20 0.30

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
SCHEMBL12902886 0.90 CYP3A4 (0.31) CYP3A4CYP2C19GAAKMT2A
SCHEMBL20872232 0.85 CYP3A4 (0.32) CYP3A4CYP2C19GAAALDH1A1
SCHEMBL785826 0.84 CYP19A1 (0.37)
SCHEMBL17146547 0.84 CYP19A1 (0.37)
SCHEMBL824220 0.82 CYP19A1 (0.40)
SCHEMBL13137679 0.82 CYP19A1 (0.40)
SCHEMBL13483413 0.82 CYP19A1 (0.40)
SCHEMBL110528 0.82 CYP19A1 (0.40)
SCHEMBL12902873 0.81 CYP3A4 (0.35) CYP3A4CYP2C19GAATSHRALDH1A1
SCHEMBL12902870 0.81 CYP3A4 (0.35) CYP3A4CYP2C19GAATSHRALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7867690-B2 Tertiary alcohol derivative, polymer compound and photoresist composition KURARAY CO., LTD. (JP) 2011-01-11 US disclosed
US-20090035700-A1 TERTIARY ALCOHOL DERIVATIVE, POLYMER COMPOUND AND PHOTORESIST COMPOSITION KURARAY CO., LTD. (JP) 2009-02-05 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-20090035700-A1 TERTIARY ALCOHOL DERIVATIVE, POLYMER COMPOUND AND PHOTORESIST COMPOSITION ADH1A, ADH1C, CCNT1 CYP3A4 1812/4885CYP2C19 1404/4885GAA 4602/4885

“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.