SCHEMBL18907182

SCHEMBL18907182

CCc1ccc2cc3c(cc2c1)c(CC)nc1ccc2ccccc2c13

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
CYP2A6 P11509 1/20 0.50
TYMS P04818 3/20 0.40
ALDH1A1 P00352 3/20 0.36
HPGD P15428 3/20 0.36
GAA P10253 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
PTK2B Q14289 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
POLB P06746 1/20 0.35
RAD52 P43351 1/20 0.35
ATM Q13315 1/20 0.35
RIOK2 Q9BVS4 1/20 0.35
MAPT P10636 3/20 0.35
KDM4E B2RXH2 2/20 0.35

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
SCHEMBL18907237 0.85 CYP1A2 (0.47) CYP1A2CYP2A6TYMSALDH1A1HPGD
SCHEMBL18907188 0.83 CYP1A2 (0.56) CYP1A2CYP2A6ALDH1A1HPGDGAA
SCHEMBL18907180 0.80 CYP1A2 (0.51) CYP1A2CYP2A6ALDH1A1GAANPC1
SCHEMBL18907233 0.77 CYP1A2 (0.51) CYP1A2CYP2A6TYMSALDH1A1HPGD
SCHEMBL18748054 0.74 CYP1A2 (0.39) CYP1A2CYP2A6TYMSSMN1; SMN2MEN1
SCHEMBL17997841 0.73 POLB (0.51) CYP1A2ALDH1A1HPGDGAASMN1; SMN2
SCHEMBL18907196 0.72 ATM (0.43) CYP1A2TYMSALDH1A1HPGDGAA
SCHEMBL6890420 0.72 CYP1A2 (0.86) CYP1A2CYP2A6ALDH1A1SMN1; SMN2NPC1
SCHEMBL6892841 0.72 CYP1A2 (0.86) CYP1A2CYP2A6ALDH1A1SMN1; SMN2NPC1
SCHEMBL40950 0.72 CYP1A2 (0.86) CYP1A2CYP2A6ALDH1A1SMN1; SMN2NPC1

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-20170155057-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2017-06-01 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-20170155057-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, OCIAD1, CCNT1 CYP1A2 421/4885CYP2A6 2320/4885TYMS 2582/4885

“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.