SCHEMBL12422694

SCHEMBL12422694

Cc1ccc(C)c2c1OC(C)O2

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.32
CREBBP Q92793 1/20 0.32
CYP1A2 P05177 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
SCHEMBL12422705 0.79
SCHEMBL8900216 0.76 BRD4 (0.38) BRD4CREBBPCYP1A2
SCHEMBL9527323 0.69 SLC5A2 (0.31)
SCHEMBL15845261 0.67
SCHEMBL7817693 0.66 MAOA (0.50) BRD4CREBBP
SCHEMBL18181606 0.66 MAOA (0.50) BRD4CREBBP
SCHEMBL16175465 0.64 ELANE (0.38) BRD4CREBBP
SCHEMBL13055491 0.63
SCHEMBL14416706 0.62 BRD4 (0.39) BRD4CREBBPCYP1A2
SCHEMBL8519612 0.61 CYP1A2 (0.32) CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140243257-A1 BENZIMIDAZOLE ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-28 US disclosed
US-8779156-B2 Analogues for the treatment or prevention of flavivirus infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-07-15 US disclosed
US-8765731-B2 Benzimidazole analogues for the treatment or prevention of flavivirus infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-07-01 US disclosed
US-20130157997-A1 BENZIMIDAZOLE ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-20 US disclosed
US-20130102629-A1 ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-25 US disclosed
US-20130090364-A1 ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-11 US disclosed
US-20130090351-A1 ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-11 US disclosed
US-20130085150-A1 ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-04 US disclosed
US-20130072523-A1 ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-03-21 US disclosed
US-8354419-B2 Benzimidazole analogues for the treatment or prevention of flavivirus infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-15 US disclosed
US-20110172238-A1 BENZIMIDAZOLE ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED 2011-07-14 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 (8 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-20130072523-A1 ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS C1QBP, IRF3, IFNAR1 BRD4 628/4885CREBBP 340/4885CYP1A2 1184/4885
US-20140243257-A1 BENZIMIDAZOLE ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS BRI3BP, BLVRB, BRIX1 BRD4 27/4885CREBBP 244/4885CYP1A2 674/4885
US-20130090351-A1 ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS BLVRB, RRP1B, C1QBP BRD4 538/4885CREBBP 327/4885CYP1A2 1418/4885
US-20130090364-A1 ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS BLVRB, C1QBP, RRP1B BRD4 510/4885CREBBP 317/4885CYP1A2 1328/4885
US-20130085150-A1 ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS BLVRB, C1QBP, RRP1B BRD4 510/4885CREBBP 317/4885CYP1A2 1328/4885
US-20130102629-A1 ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS C1QBP, BLVRB, RRP1B BRD4 624/4885CREBBP 347/4885CYP1A2 1303/4885
US-20110172238-A1 BENZIMIDAZOLE ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS BRI3BP, BLVRB, BRIX1 BRD4 27/4885CREBBP 244/4885CYP1A2 674/4885
US-20130157997-A1 BENZIMIDAZOLE ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS BRI3BP, BLVRB, BRIX1 BRD4 27/4885CREBBP 244/4885CYP1A2 674/4885

“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.