SCHEMBL1677079

SCHEMBL1677079

CCCCc1cc(CC(C)C)ccc1B(O)O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.49
GABRB2 P47870 1/20 0.49
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
LIPG Q9Y5X9 8/20 0.44
LPL P06858 7/20 0.41
TRPV1 Q8NER1 1/20 0.40
MGLL Q99685 1/20 0.40
TYR P14679 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALOX15 P16050 1/20 0.35
MAPT P10636 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL4798703 0.82 GABRA1 (0.69) GABRA1GABRB2TYRNPC1RAB9A
SCHEMBL5168472 0.79 TYR (0.59) GABRA1GABRB2TYRNPC1RAB9A
SCHEMBL9636655 0.76 GABRA1 (0.46) GABRA1GABRB2TYRNPC1RAB9A
SCHEMBL25494055 0.74 GABRA1 (0.56) GABRA1GABRB2RAB9AALOX15MAPT
SCHEMBL27608577 0.73 CA2 (0.46) GABRA1GABRB2CA1CA2SMN1; SMN2
SCHEMBL9270492 0.73 CA2 (0.50) CA1CA2NPC1RAB9ASMN1; SMN2
SCHEMBL6766811 0.73 GABRA1 (0.46) GABRA1GABRB2RAB9AALOX15MAPT
SCHEMBL3785162 0.73 LIPG (0.49) GABRA1GABRB2CA1CA2LIPG
SCHEMBL2560402 0.73 GABRA1 (0.46) GABRA1GABRB2RAB9AALOX15MAPT
SCHEMBL5164394 0.72 GABRA1 (0.69) GABRA1GABRB2TYRNPC1RAB9A

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-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use TRANSTECH PHARMA, INC. (US) 2011-04-21 US disclosed
EP-1730118-A1 SUBSTITUTED AZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE Transtech Pharma, Inc. (US) 2006-12-13 EP disclosed
WO-2005080346-A1 SUBSTITUTED AZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-09-01 WO disclosed
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use TRANSTECH PHARMA, INC. 2005-08-25 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-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use PTPRO, PTPN5, PTPRE GABRA1 2832/4885GABRB2 2790/4885CA1 621/4885
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use PTPRO, PTPN5, PTPRE GABRA1 2832/4885GABRB2 2790/4885CA1 621/4885

“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.