SCHEMBL25836762

SCHEMBL25836762

CC(C)Oc1ccc(/C=C/c2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.61
ALDH1A3 P47895 1/20 0.59
RELA Q04206 1/20 0.55
MTOR P42345 2/20 0.54
CYP3A4 P08684 2/20 0.54
NPC1 O15118 1/20 0.54
TP53 P04637 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
MAPK1 P28482 1/20 0.54
CYP2C19 P33261 1/20 0.54
HSD17B10 Q99714 1/20 0.54
CHRNA7 P36544 2/20 0.53
CHRNB2 P17787 1/20 0.53
KDM4E B2RXH2 1/20 0.53
GMNN O75496 1/20 0.53
LMNA P02545 1/20 0.53
HPGD P15428 1/20 0.53
PMP22 Q01453 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL20024678 0.91 ALDH1A3 (0.68) TRPA1ALDH1A3RELAMTORCYP3A4
SCHEMBL38650656 0.83 ALDH1A3 (0.59) TRPA1ALDH1A3RELAMTORCYP3A4
SCHEMBL16604892 0.83 ALDH1A3 (0.46) TRPA1ALDH1A3RELAMTORCYP3A4
SCHEMBL28733919 0.81 ALDH1A3 (0.61) ALDH1A3CYP3A4NPC1TP53KDM4E
SCHEMBL5539808 0.80 ALDH1A3 (0.50) TRPA1ALDH1A3MTORCYP3A4NPC1
SCHEMBL22009549 0.80 SMN1; SMN2 (0.63) ALDH1A3CYP3A4NPC1TP53CYP2D6
SCHEMBL11811762 0.80 TRPA1 (0.52) TRPA1RELAMTORCYP3A4NPC1
SCHEMBL12394 0.79 KMT2A (0.54) ALDH1A3NPC1TP53CYP2C9CYP2C19
SCHEMBL11321912 0.79 ALDH1A3 (0.59) TRPA1ALDH1A3RELACYP3A4NPC1
SCHEMBL8747586 0.79 ALDH1A3 (0.59) TRPA1ALDH1A3CYP3A4NPC1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230226195-A1 TARGETED ABERRANT ALPHA-SYNUCLEIN SPECIES AND INDUCED UBIQUITINATION AND PROTEOSOMAL CLEARANCE VIA CO-RECRUITMENT OF AN E3-LIGASE SYSTEM DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-07-20 US disclosed
US-20230226195-A1 TARGETED ABERRANT ALPHA-SYNUCLEIN SPECIES AND INDUCED UBIQUITINATION AND PROTEOSOMAL CLEARANCE VIA CO-RECRUITMENT OF AN E3-LIGASE SYSTEM DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-07-20 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-20230226195-A1 TARGETED ABERRANT ALPHA-SYNUCLEIN SPECIES AND INDUCED UBIQUITINATION AND PROTEOSOMAL CLEARANCE VIA CO-RECRUITMENT OF AN E3-LIGASE SYSTEM SNCA, ADRM1, UBE3C TRPA1 4466/4885ALDH1A3 2764/4885RELA 1220/4885

“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.