SCHEMBL4126691

SCHEMBL4126691

CC(C)(C)c1cc(C(C)(C)C)c(Cl)cc1O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 5/20 0.64
ALDH1A1 P00352 5/20 0.64
SMN1; SMN2 Q16637 4/20 0.64
KDM4E B2RXH2 1/20 0.64
CYP1A2 P05177 1/20 0.64
MAPT P10636 1/20 0.64
ATP2A2 P16615 1/20 0.64
ATP2A3 Q93084 1/20 0.64
TP53 P04637 4/20 0.47
CYP3A4 P08684 3/20 0.47
HPGD P15428 3/20 0.47
LMNA P02545 2/20 0.47
CYP2C9 P11712 3/20 0.46
HSD17B10 Q99714 3/20 0.46
TYR P14679 2/20 0.46
NR1I2 O75469 1/20 0.46
MIF P14174 1/20 0.46
HTT P42858 1/20 0.46
NFE2L2 Q16236 1/20 0.46
TSHR P16473 4/20 0.45

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
SCHEMBL16736702 0.91 ALOX15 (0.71) ALOX15ALDH1A1SMN1; SMN2KDM4ECYP1A2
SCHEMBL16117670 0.88 ALDH1A1 (0.67) ALOX15ALDH1A1SMN1; SMN2KDM4ECYP1A2
SCHEMBL24945817 0.87 ALDH1A1 (0.54) ALOX15ALDH1A1SMN1; SMN2KDM4ECYP1A2
SCHEMBL9503098 0.86 ALDH1A1 (0.71) ALOX15ALDH1A1SMN1; SMN2KDM4ECYP1A2
SCHEMBL10938794 0.86 TSHR (0.52) ALOX15ALDH1A1SMN1; SMN2KDM4ECYP1A2
SCHEMBL16117675 0.82 ALDH1A1 (0.58) ALOX15ALDH1A1SMN1; SMN2KDM4ECYP1A2
SCHEMBL23959962 0.82 ALDH1A1 (0.46) ALOX15ALDH1A1SMN1; SMN2KDM4ECYP1A2
SCHEMBL67854 0.82 ALOX15 (0.82) ALOX15ALDH1A1SMN1; SMN2KDM4ECYP1A2
SCHEMBL13911912 0.82 ALDH1A1 (0.41) ALOX15ALDH1A1SMN1; SMN2KDM4ECYP1A2
SCHEMBL10907968 0.81 ALDH1A1 (0.56) ALOX15ALDH1A1SMN1; SMN2KDM4ECYP1A2

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
WO-2016190871-A1 2,5-DIALKYL-4-H/HALO/ETHER-PHENOL COMPOUNDS TANSNA THERAPEUTICS, INC. (US) 2016-12-01 WO disclosed
US-20090192190-A1 Benzoic Acid Derivatives that are Modulators or Agonists of GlyR ASTRAZENECA AB (SE) 2009-07-30 US disclosed
EP-1890993-A2 BENZOIC ACID DERIVATIVES THAT ARE MODULATORS OR ANTAGONISTS OF GLYR AstraZeneca AB (SE) 2008-02-27 EP disclosed
WO-2006121390-A2 BENZOIC ACID DERIVATIVES THAT ARE MODULATORS OR AGONISTS OF GLYR ASTRAZENECA AB (SE) 2006-11-16 WO 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-20090192190-A1 Benzoic Acid Derivatives that are Modulators or Agonists of GlyR GLRA1, GLRB, GPBAR1 ALOX15 1015/4885ALDH1A1 1413/4885SMN1; SMN2 2423/4885

“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.