SCHEMBL6765852

SCHEMBL6765852

Cc1c(C=O)cc(Br)cc1C(C)C

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.45
GABRB1 P18505 1/20 0.45
ERN1 O75460 5/20 0.41
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TYR P14679 1/20 0.34
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
PRKDC P78527 1/20 0.32
PTPN1 P18031 1/20 0.30

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
SCHEMBL10322298 0.79 GABRA1 (0.64) GABRA1GABRB1ERN1ALDH1A1TYR
SCHEMBL13993252 0.79 GABRA1 (0.61) GABRA1GABRB1LMNA
SCHEMBL10323657 0.77 ERN1 (0.47) GABRA1GABRB1ERN1ALDH1A1LMNA
SCHEMBL25768537 0.75 ERN1 (0.47) ERN1ALDH1A1SMN1; SMN2LMNACYP1A2
SCHEMBL841601 0.75 GABRA1 (0.52) GABRA1GABRB1ERN1ALDH1A1SMN1; SMN2
SCHEMBL1670597 0.74 ERN1 (0.52) GABRA1GABRB1ERN1ALDH1A1TYR
SCHEMBL15264345 0.74 ERN1 (0.47) GABRA1GABRB1ERN1ALDH1A1SMN1; SMN2
SCHEMBL15815028 0.73 ERN1 (0.51) ERN1ALDH1A1SMN1; SMN2LMNACYP1A2
SCHEMBL24012721 0.72 ERN1 (0.44) ERN1ALDH1A1LMNACYP1A2CYP2C19
SCHEMBL12957472 0.72 ERN1 (0.53) ERN1ALDH1A1TYRCYP1A2CYP2C19

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-8178547-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-05-15 US disclosed
US-20100158860-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS STEINER SANDRA 2010-06-24 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-20100158860-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS RFC1, RRP1B, RRBP1 GABRA1 3736/4885GABRB1 3060/4885ERN1 24/4885

“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.