SCHEMBL10025530

SCHEMBL10025530

CC(C)(C)Cc1ccc(-c2ccccc2)o1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 5/20 0.58
CYP2A6 P11509 4/20 0.58
CYP2D6 P10635 3/20 0.58
CYP2C9 P11712 3/20 0.58
CYP2E1 P05181 2/20 0.58
CYP3A4 P08684 2/20 0.58
CYP2B6 P20813 2/20 0.58
HRH1 P35367 1/20 0.53
ALDH1A1 P00352 4/20 0.50
MAPT P10636 2/20 0.50
POLB P06746 1/20 0.50
PKM P14618 1/20 0.50
HTT P42858 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ALOX5 P09917 1/20 0.45
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
KDM4E B2RXH2 2/20 0.42
SOS1 Q07889 1/20 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
SCHEMBL9887879 0.81 CYP2A6 (0.42) CYP2C19CYP2A6CYP2D6CYP2C9CYP2E1
SCHEMBL18014746 0.81 SOS1 (0.63) ALDH1A1MAPTPOLBPKMHTT
SCHEMBL805141 0.78 CYP2C19 (0.64) CYP2C19CYP2A6CYP2D6CYP2C9CYP2E1
SCHEMBL21099914 0.76 ESR1 (0.39) CYP2C9MAPTKMT2A
SCHEMBL13543173 0.74 ALDH1A1 (0.61) CYP2C19CYP2A6CYP2D6CYP2C9CYP2E1
SCHEMBL10959812 0.74 CYP2A6 (0.64) CYP2C19CYP2A6CYP2D6CYP2C9CYP2E1
SCHEMBL720013 0.74 CYP2A6 (1.00) CYP2C19CYP2A6CYP2D6CYP2C9CYP2E1
SCHEMBL623853 0.74 ALDH1A1 (0.65) CYP2C19CYP2A6CYP2D6CYP2C9CYP2E1
SCHEMBL24701101 0.73 SOS1 (0.68) CYP2C19CYP2A6CYP2D6CYP2C9CYP2E1
SCHEMBL13541830 0.73 HRH1 (0.62) CYP2C19CYP2A6CYP2D6CYP2C9CYP2E1

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-8207173-B2 Benzimidazoles and analogs thereof as antivirals ISIS PHARMACEUTICALS, INC. (US) 2012-06-26 US disclosed
US-8207173-B2 Benzimidazoles and analogs thereof as antivirals ISIS PHARMACEUTICALS, INC. (US) 2012-06-26 US disclosed
US-20100130513-A1 BENZIMIDAZOLES AND ANALOGS THEREOF AS ANTIVIRALS ISIS PHARMACEUTICALS, INC. (US) 2010-05-27 US disclosed
US-20100130513-A1 BENZIMIDAZOLES AND ANALOGS THEREOF AS ANTIVIRALS ISIS PHARMACEUTICALS, INC. (US) 2010-05-27 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-20100130513-A1 BENZIMIDAZOLES AND ANALOGS THEREOF AS ANTIVIRALS ZC3HAV1, NXF1, ZC3HAV1L CYP2C19 1023/4885CYP2A6 2000/4885CYP2D6 1258/4885

“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.