SCHEMBL9927433

SCHEMBL9927433

CCC(C)(C)C(=O)OC(C)(C)C1CCC(=O)O1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 2/20 0.34
CA1 P00915 1/20 0.33
CA9 Q16790 1/20 0.33
CYP1A2 P05177 2/20 0.33
PRKCA P17252 3/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP3A4 P08684 2/20 0.32
HMGCR P04035 2/20 0.32
KDM4E B2RXH2 1/20 0.32
USP2 O75604 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NR1I2 O75469 1/20 0.32
ABCB11 O95342 1/20 0.32
NR3C1 P04150 1/20 0.32
PGR P06401 1/20 0.32
ABCB1 P08183 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
CYP2C8 P10632 1/20 0.32
CHRM1 P11229 1/20 0.32
ADRB3 P13945 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
SCHEMBL17370204 0.92 FKBP1A (0.35) FKBP1ACA1CA9ALDH1A1CYP3A4
SCHEMBL15113808 0.77 FKBP1A (0.34) FKBP1AALDH1A1CYP3A4HMGCRKDM4E
SCHEMBL10163391 0.76 CA1 (0.35) CA1CA9CYP1A2PRKCAALDH1A1
SCHEMBL493910 0.75 CA1 (0.34) CA1CA9ALDH1A1KDM4EKMT2A
SCHEMBL12960176 0.74 FKBP1A (0.33) FKBP1AALDH1A1SMN1; SMN2CHRM1MAPT
SCHEMBL12216118 0.74 FKBP1A (0.36) FKBP1AALDH1A1HMGCR
SCHEMBL15745512 0.73 HMGCR (0.42) ALDH1A1CYP3A4HMGCRKDM4EUSP2
SCHEMBL12960167 0.73 FKBP1A (0.33) FKBP1AALDH1A1SMN1; SMN2MAPT
SCHEMBL15745516 0.72 FKBP1A (0.39) FKBP1ACYP1A2
SCHEMBL11941655 0.72 HMGCR (0.33) FKBP1AHMGCR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150378257-A1 PATTERN FORMING METHOD, ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION, METHOD OF MANUFACTURING ELECTRONIC DEVICE, AND ELECTRONIC DEVICE FUJIFILM CORPORATION (JP) 2015-12-31 US disclosed
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 1459/4885CA1 3162/4885CA9 3082/4885
US-20120149921-A1 TERTIARY ALCOHOL DERIVATIVE, POLYMER COMPOUND AND PHOTORESIST COMPOSITION ADH1A, ADH1C, ADH5 FKBP1A 2658/4885CA1 2994/4885CA9 2581/4885

“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.