SCHEMBL17306128

SCHEMBL17306128

COc1cc(C(C)C)ccc1N1CCN(C2CCC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
ABCB1 P08183 1/20 0.46
HTR1A P08908 1/20 0.46
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
ALDH1A3 P47895 1/20 0.45
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM2B Q8NHM5 3/20 0.44
KDM4E B2RXH2 3/20 0.44
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL26484667 0.92 SMN1; SMN2 (0.46) ALDH1A1ABCB1HTR1AADRA1DADRA1A
SCHEMBL26406701 0.89 ALDH1A1 (0.42) ALDH1A1ABCB1HTR1AADRA1DADRA1A
SCHEMBL17660614 0.88 CCR4 (0.44) ALDH1A1ABCB1ALDH1A3SMN1; SMN2KDM4E
SCHEMBL17660577 0.85 DRD2 (0.43) ALDH1A1HTR1AADRA1DADRA1AADRA1B
SCHEMBL16440170 0.83 ALDH1A1 (0.56) ALDH1A1ABCB1HTR1AADRA1DADRA1A
SCHEMBL17660618 0.83 KDM2B (0.46) ALDH1A1ALDH1A3DRD3KDM2B
SCHEMBL17660603 0.83 KDM2B (0.48) ALDH1A1ADRA1DADRA1AADRA1BKDM2B
SCHEMBL26484765 0.83 ALDH1A1 (0.47) ALDH1A1HTR1AALDH1A3SMN1; SMN2HTT
SCHEMBL20458023 0.83 KDM2B (0.47) ALDH1A1DRD3SMN1; SMN2KDM2BKDM4E
SCHEMBL8343748 0.82 ALDH1A1 (0.58) ALDH1A1ALDH1A3DRD2DRD3SMN1; SMN2

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-20150344473-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2015-12-03 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-20150344473-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS TBKBP1, TNKS1BP1, TNKS ALDH1A1 4260/4885ABCB1 3231/4885HTR1A 4440/4885

“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.