SCHEMBL16489151

SCHEMBL16489151

CC(C)(C)c1ccc(/C=C/C(O)c2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.40
TRPV1 Q8NER1 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
RARA P10276 1/20 0.39
RARB P10826 1/20 0.39
RARG P13631 1/20 0.39
LMNA P02545 5/20 0.39
TYR P14679 1/20 0.39
GRIN2D O15399 2/20 0.39
GRIN3B O60391 2/20 0.39
GRIN1 Q05586 2/20 0.39
GRIN2A Q12879 2/20 0.39
GRIN2B Q13224 2/20 0.39
GRIN2C Q14957 2/20 0.39

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
SCHEMBL14839480 0.93 CYP1A2 (0.45) CYP1A2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL14839483 0.93 CYP1A2 (0.45) CYP1A2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL14839506 0.91 TRPV1 (0.47) CYP1A2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL14839504 0.91 TRPV1 (0.43) CYP1A2NPC1RAB9ASMN1; SMN2TRPV1
SCHEMBL14839612 0.89 TRPV1 (0.51) CYP1A2ALDH1A1MAPTTRPV1LMNA
SCHEMBL14832109 0.89 TRPV1 (0.51) CYP1A2ALDH1A1MAPTTRPV1LMNA
SCHEMBL14832450 0.89 TRPV1 (0.51) CYP1A2ALDH1A1MAPTTRPV1LMNA
SCHEMBL14230569 0.79 CYP1A2 (0.52) CYP1A2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL29898471 0.79 CYP1A2 (0.47) CYP1A2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL14839478 0.79 KDM4E (0.53) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2775996-B1 USE OF PROPANOL AND PROPENOL DERIVATIVES AS ANTIOXIDANTS MERCK PATENT GMBH (DE) 2018-02-28 EP disclosed
US-20150051295-A1 USE OF PROPANOL AND PROPENOL DERIVATIVES AS ANTIOXIDANTS MERCK PATENT GMBH (DE) 2015-02-19 US disclosed
US-20150051295-A1 USE OF PROPANOL AND PROPENOL DERIVATIVES AS ANTIOXIDANTS MERCK PATENT GMBH (DE) 2015-02-19 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 (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-20150051295-A1 USE OF PROPANOL AND PROPENOL DERIVATIVES AS ANTIOXIDANTS GPX4, EBP, CAT CYP1A2 292/4885NPC1 2341/4885RAB9A 4513/4885

“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.