SCHEMBL9927431

SCHEMBL9927431

CCC(C)(C)C(=O)OC1(C2COC(=O)C2)CCCCC1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 2/20 0.33
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL6367219 0.78 CYP3A4 (0.37) FKBP1ACYP2C9TSHRMAPK1
SCHEMBL6367212 0.78 CYP3A4 (0.37) FKBP1ACYP2C9TSHRMAPK1
SCHEMBL6367207 0.78 CYP3A4 (0.37) FKBP1ACYP2C9TSHRMAPK1
SCHEMBL12014444 0.78 HMGCR (0.32) FKBP1ACYP2C9TSHR
SCHEMBL13645101 0.77
SCHEMBL6367137 0.77 CYP3A4 (0.35) FKBP1ACYP2C9TSHRMAPK1
SCHEMBL12216119 0.75
SCHEMBL9927432 0.75 FKBP1A (0.40) FKBP1ATSHR
SCHEMBL9927420 0.75 FKBP1A (0.30) FKBP1A
SCHEMBL9927414 0.73 FKBP1A (0.31) FKBP1ATSHR

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-8541606-B2 Tertiary alcohol derivative, polymer compound and photoresist composition KURARAY CO., LTD. (JP) 2013-09-24 US disclosed
US-20120149921-A1 TERTIARY ALCOHOL DERIVATIVE, POLYMER COMPOUND AND PHOTORESIST COMPOSITION KURARAY CO., LTD. (JP) 2012-06-14 US disclosed
US-8105746-B2 Tertiary alcohol derivative, polymer compound and photoresist composition KURARAY CO., LTD. (JP) 2012-01-31 US disclosed
US-20090029290-A1 TERTIARY ALCOHOL DERIVATIVE, POLYMER COMPOUND AND PHOTORESIST COMPOSITION KURARAY CO., LTD. (JP) 2009-01-29 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 (2 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-20090029290-A1 TERTIARY ALCOHOL DERIVATIVE, POLYMER COMPOUND AND PHOTORESIST COMPOSITION ADH1A, ADH1C, ADH5 FKBP1A 1459/4885CYP2C9 327/4885TSHR 2294/4885
US-20120149921-A1 TERTIARY ALCOHOL DERIVATIVE, POLYMER COMPOUND AND PHOTORESIST COMPOSITION ADH1A, ADH1C, ADH5 FKBP1A 2658/4885CYP2C9 305/4885TSHR 1388/4885

“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.