SCHEMBL10215423

SCHEMBL10215423

CC(=O)C1=C/CC2CCC(C\C=C/1)c1cc(C(C)=O)ccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.50
CHRNA4 P43681 2/20 0.50
CHRNA1 P02708 1/20 0.50
CHRNG P07510 1/20 0.50
CHRNB1 P11230 1/20 0.50
CHRNB4 P30926 1/20 0.50
CHRNA3 P32297 1/20 0.50
CHRND Q07001 1/20 0.50
RARG P13631 2/20 0.40
RARB P10826 1/20 0.40
CREBBP Q92793 1/20 0.39
ALDH1A1 P00352 5/20 0.36
POLB P06746 2/20 0.36
GAA P10253 2/20 0.36
KMT2A Q03164 2/20 0.36
MASP2 O00187 1/20 0.36
USP2 O75604 1/20 0.36
NSD2 O96028 1/20 0.36
ALPL P05186 1/20 0.36
APOBEC3A P31941 1/20 0.36

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
SCHEMBL10215425 0.77 PTPN1 (0.39) CHRNB2CHRNA4CHRNA1CHRNGCHRNB1
SCHEMBL10932919 0.77 CHRNB2 (0.73) CHRNB2CHRNA4CHRNA1CHRNGCHRNB1
SCHEMBL10216781 0.75 HTT (0.33) RARGRARB
SCHEMBL10214253 0.75 KLKB1 (0.37) RARGRARB
SCHEMBL5768474 0.73 CHRNB2 (0.82) CHRNB2CHRNA4CHRNA1CHRNGCHRNB1
Hydrochloric Acid SCHEMBL6395673 0.72 CHRNB2 (0.79) CHRNB2CHRNA4CHRNA1CHRNGCHRNB1
SCHEMBL4404495 0.67 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA1CHRNGCHRNB1
SCHEMBL10170777 0.67 CHRNA1 (0.53) CHRNB2CHRNA4CHRNA1CHRNGCHRNB1
SCHEMBL11115696 0.67 CHRNA1 (0.53) CHRNB2CHRNA4CHRNA1CHRNGCHRNB1
SCHEMBL18527158 0.66 CHRNA1 (0.49) CHRNB2CHRNA4CHRNA1CHRNGCHRNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120040962-A1 FUSED RING INHIBITORS OF HEPATITIS C PRESIDIO PHARMACEUTICALS, INC. (US) 2012-02-16 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-20120040962-A1 FUSED RING INHIBITORS OF HEPATITIS C HAVCR2, HCCS, ZC3HAV1 CHRNB2 4779/4885CHRNA4 4862/4885CHRNA1 4631/4885

“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.