SCHEMBL19725752

SCHEMBL19725752

CCc1cncc2c(CC)cccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.41
GABRB2 P47870 4/20 0.41
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 2/20 0.37
HTT P42858 1/20 0.37
DAO P14920 1/20 0.35
DDO Q99489 1/20 0.35
ELANE P08246 1/20 0.33
KCNH2 Q12809 1/20 0.33
SCN5A Q14524 1/20 0.33
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CASP1 P29466 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL19660438 0.84 CYP2A6 (0.44) GABRA1GABRB2LMNASMN1; SMN2L3MBTL1
SCHEMBL20012925 0.82 NOS2 (0.41) GABRA1GABRB2LMNASMN1; SMN2L3MBTL1
SCHEMBL3238496 0.82 GABRA1 (0.57) GABRA1GABRB2LMNAALDH1A1HTT
SCHEMBL25836327 0.80 CYP2C9 (0.37) GABRA1GABRB2SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL21237367 0.80 GABRA1 (0.35) GABRA1GABRB2LMNASMN1; SMN2L3MBTL1
SCHEMBL21186475 0.79 LOXL2 (0.45) LMNASMN1; SMN2L3MBTL1ALDH1A1CYP1A2
SCHEMBL11319820 0.77 KDM4E (0.40) LMNASMN1; SMN2L3MBTL1HTTCREBBP
SCHEMBL873335 0.75 CYP11B1 (0.47) ALDH1A1KCNH2CYP1A2CYP3A4CYP2D6
SCHEMBL19725755 0.74 KDM5A (0.41) LMNASMN1; SMN2L3MBTL1CYP1A2CYP3A4
SCHEMBL26253878 0.73 GABRA1 (0.54) GABRA1GABRB2LMNAALDH1A1HTT

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-20170365798-A1 FLUORINATED AROMATIC SMALL MOLECULES AS FUNCTIONAL ADDITIVES FOR DISPERSION OF CONDUCTIVE POLYMERS Heraeus Deutschland GmbH & Co. KG (DE) 2017-12-21 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-20170365798-A1 FLUORINATED AROMATIC SMALL MOLECULES AS FUNCTIONAL ADDITIVES FOR DISPERSION OF CONDUCTIVE POLYMERS SLCO4C1, SLCO2B1, SLCO2A1 GABRA1 2523/4885GABRB2 2093/4885LMNA 1511/4885

“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.