SCHEMBL18907227

SCHEMBL18907227

O=P(c1ccccc1)(c1ccccc1)c1cccc(-c2nc3c4ccccc4ccc3c3c2ccc2ccccc23)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 3/20 0.34
CYP1A2 P05177 3/20 0.34
ABCG2 Q9UNQ0 2/20 0.34
CYP1B1 Q16678 2/20 0.34
FYN P06241 1/20 0.34
MAPK3 P27361 1/20 0.34
AHR P35869 1/20 0.34
PAX8 Q06710 1/20 0.34
MAOA P21397 1/20 0.34
ACP3 P15309 2/20 0.34
MAPT P10636 5/20 0.33
ALDH1A1 P00352 5/20 0.33
HPGD P15428 4/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
NPY1R P25929 1/20 0.33
HTT P42858 1/20 0.33
NPY2R P49146 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
SCHEMBL17034902 0.89 MAPT (0.39) CYP1A1CYP1A2ABCG2CYP1B1FYN
SCHEMBL19009858 0.88 CYP1A1 (0.35) CYP1A1CYP1A2ABCG2CYP1B1FYN
SCHEMBL18200342 0.86 MAPT (0.37) CYP1A1CYP1A2ABCG2CYP1B1FYN
SCHEMBL22606533 0.84 MAPT (0.38) CYP1A2ACP3MAPTALDH1A1HPGD
SCHEMBL18200830 0.84 DHODH (0.39) ACP3MAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL22606559 0.84 CYP3A4 (0.32) MAPTALDH1A1L3MBTL1KDM4ETOP1
SCHEMBL17035055 0.83 DHFR (0.37) CYP1A1CYP1A2ABCG2CYP1B1FYN
SCHEMBL18346945 0.82 ALDH1A1 (0.37) CYP1A1CYP1B1MAPTALDH1A1KDM4E
SCHEMBL18907242 0.82 TOP1 (0.38) CYP1A1CYP1A2CYP1B1MAOAACP3
SCHEMBL18346944 0.82 TOP1 (0.44) CYP1A1CYP1B1ACP3MAPTALDH1A1

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 2 patents. 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
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 CYP1A1 92/4885CYP1A2 421/4885ABCG2 3575/4885

“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.