SCHEMBL19865627

SCHEMBL19865627

CCCCCC1CCC(F)(F)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.46
EPHX1 P07099 1/20 0.38
NAAA Q02083 1/20 0.38
ASAH1 Q13510 1/20 0.38
TP53 P04637 1/20 0.36
PKM P14618 1/20 0.36
ALDH1A1 P00352 1/20 0.35
HTT P42858 2/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
MAPT P10636 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
LSS P48449 2/20 0.33
GNAO1 P09471 1/20 0.32
OPRM1 P35372 1/20 0.32
SIGMAR1 Q99720 1/20 0.31

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
SCHEMBL21710303 0.98 CYP1A2 (0.45) CYP1A2EPHX1NAAAASAH1TP53
SCHEMBL19304169 0.93 CYP1A2 (0.54) CYP1A2EPHX1NAAAASAH1TP53
SCHEMBL6404417 0.88 CYP1A2 (0.41) CYP1A2EPHX1NAAAASAH1TP53
SCHEMBL178385 0.84 CYP1A2 (0.36) CYP1A2NAAAASAH1ALDH1A1MEN1
SCHEMBL16056471 0.78 NAAA (0.40) NAAAASAH1SIGMAR1
SCHEMBL16068451 0.78 NAAA (0.38) NAAAASAH1SIGMAR1
SCHEMBL10484671 0.78 CYP1A2 (0.46) CYP1A2EPHX1TP53PKMALDH1A1
SCHEMBL10569491 0.78 CYP1A2 (0.62) CYP1A2EPHX1TP53PKMALDH1A1
SCHEMBL11124019 0.78 CYP1A2 (0.62) CYP1A2EPHX1TP53PKMALDH1A1
SCHEMBL183947 0.78

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-20180044343-A1 BICYCLIC IMIDAZOLO DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2018-02-15 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-20180044343-A1 BICYCLIC IMIDAZOLO DERIVATIVE PDE3A, PDE2A, PDE5A CYP1A2 677/4885EPHX1 1008/4885NAAA 965/4885

“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.