SCHEMBL3771504

SCHEMBL3771504

C#Cc1ccc(-c2cc3ccccc3c3ccccc23)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.46
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MPI P34949 1/20 0.42
HIF1A Q16665 2/20 0.40
HSD17B10 Q99714 2/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
CASP1 P29466 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP1B1 Q16678 3/20 0.40
CYP1A1 P04798 2/20 0.40
CYP1A2 P05177 1/20 0.40
TRPM4 Q8TD43 1/20 0.39
POLB P06746 1/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL3771238 0.82 CYP11B1 (0.47) CYP11B1ALDH1A1HPGDMAPTKDM4E
SCHEMBL13170959 0.81 CA1 (0.51) CYP11B1ALDH1A1HPGDMAPTKDM4E
SCHEMBL13170956 0.80 CA1 (0.50) CYP11B1ALDH1A1HPGDMAPTKDM4E
SCHEMBL13170953 0.80 CA1 (0.50) CYP11B1ALDH1A1HPGDMAPTKDM4E
SCHEMBL3778441 0.79 CA12 (0.49) CYP1A2CA1CA2
SCHEMBL24174562 0.78 ALDH1A1 (0.59) CYP11B1ALDH1A1HPGDMAPTKDM4E
Biphenyl SCHEMBL4006358 0.78 ALDH1A1 (0.59) CYP11B1ALDH1A1HPGDMAPTKDM4E
SCHEMBL5851578 0.78 ALDH1A1 (0.63) CYP11B1ALDH1A1HPGDMAPTKDM4E
SCHEMBL13170785 0.76 CA1 (0.46) CYP11B1ALDH1A1HPGDMAPTKDM4E
SCHEMBL26021734 0.76 CYP2A6 (0.54) CYP11B1ALDH1A1HPGDMAPTKDM4E

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-8568903-B2 Phenanthrene derivative, and material for organic EL element IDEMITSU KOSAN CO., LTD. (JP) 2013-10-29 US disclosed
US-20100327230-A1 PHENANTHRENE DERIVATIVE, AND MATERIAL FOR ORGANIC EL ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2010-12-30 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-20100327230-A1 PHENANTHRENE DERIVATIVE, AND MATERIAL FOR ORGANIC EL ELEMENT LEF1, AR, NR0B1 CYP11B1 630/4885ALDH1A1 1250/4885HPGD 3401/4885

“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.