SCHEMBL970864

SCHEMBL970864

O=C(C=Cc1cccc2ccccc12)c1c2ccccc2cc2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.60
ALDH1A1 P00352 3/20 0.60
HPGD P15428 3/20 0.60
CYP1A1 P04798 3/20 0.60
CYP1B1 Q16678 3/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
CYP1A2 P05177 2/20 0.60
LMNA P02545 2/20 0.60
MAPK1 P28482 2/20 0.60
PAX8 Q06710 1/20 0.60
CYP2D6 P10635 1/20 0.60
NPY1R P25929 1/20 0.60
NPY2R P49146 1/20 0.60
HDAC8 Q9BY41 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
ABCG2 Q9UNQ0 4/20 0.56
KDM4E B2RXH2 3/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
MTNR1A P48039 1/20 0.49

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
SCHEMBL918337 0.81 CYP2D6 (0.63) MAPTALDH1A1HPGDCYP1A1CYP1B1
SCHEMBL918336 0.81 CYP2D6 (0.63) MAPTALDH1A1HPGDCYP1A1CYP1B1
SCHEMBL9584082 0.80 MAPT (0.77) MAPTALDH1A1HPGDCYP1A1CYP1B1
SCHEMBL29419005 0.80 MAPT (0.77) MAPTALDH1A1HPGDCYP1A1CYP1B1
SCHEMBL12306183 0.80 MAPT (0.67) MAPTALDH1A1HPGDCYP1A1CYP1B1
SCHEMBL973106 0.80 ABCG2 (0.69) MAPTALDH1A1HPGDCYP1A1CYP1B1
SCHEMBL11405387 0.80 ABCG2 (0.69) MAPTALDH1A1HPGDCYP1A1CYP1B1
SCHEMBL29876093 0.80 MAPT (0.77) MAPTALDH1A1HPGDCYP1A1CYP1B1
SCHEMBL978023 0.80 MAPT (0.67) MAPTALDH1A1HPGDCYP1A1CYP1B1
SCHEMBL979175 0.80 MAPT (0.77) MAPTALDH1A1HPGDCYP1A1CYP1B1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7867629-B2 Nitrogenous heterocyclic derivative and organic electroluminescent element employing the same IDEMITSU KOSAN CO., LTD. (JP) 2011-01-11 US disclosed
US-20060154105-A1 Nitrogenous heterocyclic derivative and organic elecrtroluminescent element employing the same IDEMITSU KOSAN CO., LTD. (JP) 2006-07-13 US disclosed
EP-1582516-A1 NITROGENOUS HETEROCYCLIC DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT EMPLOYING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2005-10-05 EP 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-20060154105-A1 Nitrogenous heterocyclic derivative and organic elecrtroluminescent element employing the same L1CAM, NOTCH1, NUDC MAPT 2011/4885ALDH1A1 325/4885HPGD 852/4885

“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.