SCHEMBL4897709

SCHEMBL4897709

OC1CCc2cc(-c3ccc(C(F)(F)F)cc3)ccc2C1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.55
CYP11B1 P15538 1/20 0.55
CYP11B2 P19099 1/20 0.55
TRPV1 Q8NER1 10/20 0.46
KIF11 P52732 2/20 0.44
TDP2 O95551 1/20 0.43
ADRB1 P08588 1/20 0.43
ADRB3 P13945 1/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNA4 P43681 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.41
ASIC3 Q9UHC3 1/20 0.40

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
SCHEMBL25025814 0.87 PNMT (0.47) CYP1A2CYP11B1CYP11B2TRPV1
SCHEMBL11142645 0.82 CHRNB2 (0.46) TRPV1KIF11TDP2ADRB1ADRB3
SCHEMBL6938397 0.81 CYP1A2 (0.68) CYP1A2CYP11B1CYP11B2
SCHEMBL11146018 0.78 KIF11 (0.42) CYP1A2CYP11B1CYP11B2KIF11TDP2
SCHEMBL9729442 0.77 CYP11B1 (0.43) CYP11B1CYP11B2TDP2
SCHEMBL11145218 0.76 ADRB1 (0.40) CYP1A2CYP11B1CYP11B2KIF11TDP2
SCHEMBL11143472 0.74 CYP3A4 (0.46) KIF11TDP2ADRB1ADRB3CHRNB2
SCHEMBL11141750 0.73 CYP3A4 (0.50) KIF11TDP2ADRB1ADRB3CHRNB2
SCHEMBL25025870 0.73 PNMT (0.53) TDP2CHRNB2CHRNA4
SCHEMBL11135536 0.72 CYP3A4 (0.52) KIF11TDP2ADRB1ADRB3CHRNB2

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
US-20080176830-A1 Compounds, Compositions, and Methods ADAMS NICHOLAS D 2008-07-24 US claimed
US-20080176830-A1 Compounds, Compositions, and Methods ADAMS NICHOLAS D 2008-07-24 US disclosed
US-20080176830-A1 Compounds, Compositions, and Methods ADAMS NICHOLAS D 2008-07-24 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-20080176830-A1 Compounds, Compositions, and Methods ALPP, PCNA, MKI67 CYP1A2 4367/4885CYP11B1 780/4885CYP11B2 1046/4885

“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.