SCHEMBL494045

SCHEMBL494045

O=C1CCCC2(CCCCC2)O1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.36
CA1 P00915 1/20 0.33
CA9 Q16790 1/20 0.33
KDM4E B2RXH2 2/20 0.33
HTT P42858 1/20 0.33
ATM Q13315 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
POLB P06746 1/20 0.31

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
SCHEMBL5720694 0.90 LMNA (0.39) LMNATSHRKDM4EHTTATM
SCHEMBL2796856 0.90 LMNA (0.39) LMNATSHRKDM4EHTTATM
SCHEMBL10740670 0.90 LMNA (0.39) LMNATSHRKDM4EHTTATM
SCHEMBL3919485 0.87 TSHR (0.41) LMNATSHRSIRT2KDM4EHTT
SCHEMBL4926143 0.79 KDM4E (0.42) LMNATSHRKDM4EHTTATM
SCHEMBL17611961 0.79 CA1 (0.32) LMNATSHRCA1CA9KDM4E
SCHEMBL3660219 0.78 SIRT2 (0.33) LMNATSHRSIRT2KDM4E
SCHEMBL17793402 0.76
SCHEMBL28748547 0.74 TSHR (0.42) LMNATSHRKDM4EHTTALDH1A1
SCHEMBL17627783 0.72 ATM (0.36) LMNATSHRSIRT2CA1CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120149921-A1 TERTIARY ALCOHOL DERIVATIVE, POLYMER COMPOUND AND PHOTORESIST COMPOSITION KURARAY CO., LTD. (JP) 2012-06-14 US claimed
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-20100292228-A1 SUBSTITUTED OXA-DIAZA-SPIRO-[5.5]-UNDECANONE DERIVATIVES AND THEIR USE AS NEUROKININ ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2010-11-18 US disclosed
US-20090029290-A1 TERTIARY ALCOHOL DERIVATIVE, POLYMER COMPOUND AND PHOTORESIST COMPOSITION KURARAY CO., LTD. (JP) 2009-01-29 US disclosed
EP-1992651-A1 TERTIARY ALCOHOL DERIVATIVE, POLYMER COMPOUND AND PHOTORESIST COMPOSITION Kuraray Co., Ltd. (JP) 2008-11-19 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 (3 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 LMNA 3254/4885TSHR 2294/4885SIRT2 3256/4885
US-20100292228-A1 SUBSTITUTED OXA-DIAZA-SPIRO-[5.5]-UNDECANONE DERIVATIVES AND THEIR USE AS NEUROKININ ANTAGONISTS NPSR1, OPRK1, PROKR2 LMNA 949/4885TSHR 2386/4885SIRT2 836/4885
US-20120149921-A1 TERTIARY ALCOHOL DERIVATIVE, POLYMER COMPOUND AND PHOTORESIST COMPOSITION ADH1A, ADH1C, ADH5 LMNA 2303/4885TSHR 1388/4885SIRT2 3230/4885

“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.