SCHEMBL944882

SCHEMBL944882

CC(C)(C)c1cccc(C2CCCCCCC2)c1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.53
GABRA1 P14867 1/20 0.47
GABRB2 P47870 1/20 0.47
PTPN5 P54829 4/20 0.41
PTPN2 P17706 1/20 0.41
ALOX12 P18054 1/20 0.40
LMNA P02545 1/20 0.39
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
FEN1 P39748 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
HTR1A P08908 2/20 0.35
USP2 O75604 1/20 0.35
CYP1A2 P05177 1/20 0.35
ADRA2A P08913 1/20 0.35
CYP2D6 P10635 1/20 0.35
CHRM1 P11229 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL2916477 1.00 CA2 (0.53) CA2GABRA1GABRB2PTPN5PTPN2
SCHEMBL10613016 0.98 CA2 (0.55) CA2GABRA1GABRB2PTPN5PTPN2
SCHEMBL9654291 0.90 PTPN5 (0.41) CA2GABRA1GABRB2PTPN5PTPN2
SCHEMBL16335849 0.82 HTR2C (0.44) CA2PTPN5PTPN2LMNAALDH1A1
SCHEMBL4958862 0.81 PTPN5 (0.46) PTPN5PTPN2FEN1PTGDR2HTR1A
SCHEMBL4958978 0.81 PTPN5 (0.46) PTPN5PTPN2FEN1PTGDR2HTR1A
SCHEMBL4959318 0.81 PTPN5 (0.46) PTPN5PTPN2FEN1PTGDR2HTR1A
SCHEMBL4960398 0.81 PTPN5 (0.46) PTPN5PTPN2FEN1PTGDR2HTR1A
SCHEMBL201425 0.81 PTPN5 (0.46) PTPN5PTPN2FEN1PTGDR2HTR1A
SCHEMBL9861616 0.81 GAA (0.49) PTPN5PTPN2TDP1FEN1GAA

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-5292970-A Alkylation HUELS AKTIENGESELLSCHAFT (DE) 1994-03-08 US claimed
EP-0544074-A1 Process for the preparation of ortho substituted alkylphenols and catalyst therefor HÜLS AKTIENGESELLSCHAFT (DE) 1993-06-02 EP claimed
US-8766016-B2 Green and atom-economical processes for producing phenolic antioxidants ALBERMARLE CORPORATION (US) 2014-07-01 US disclosed
US-20120108854-A1 GREEN AND ATOM-ECONOMICAL PROCESSES FOR PRODUCING PHENOLIC ANTIOXIDANTS ALBEMARLE CORPORATION (US) 2012-05-03 US disclosed
WO-2011005735-A1 GREEN AND ATOM-ECONOMICAL PROCESSES FOR PRODUCING PHENOLIC ANTIOXIDANTS ALBEMARLE CORPORATION (US) 2011-01-13 WO disclosed
US-5292970-A Alkylation HUELS AKTIENGESELLSCHAFT (DE) 1994-03-08 US disclosed
EP-0544074-A1 Process for the preparation of ortho substituted alkylphenols and catalyst therefor HÜLS AKTIENGESELLSCHAFT (DE) 1993-06-02 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 (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-20120108854-A1 GREEN AND ATOM-ECONOMICAL PROCESSES FOR PRODUCING PHENOLIC ANTIOXIDANTS TYR, TXN2, TFEB CA2 1731/4885GABRA1 3041/4885GABRB2 2131/4885

“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.