SCHEMBL4139940

SCHEMBL4139940

c1cc2ccc3ccc(-c4ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc4)c4ccc(c1)c2c34

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
HPGD P15428 4/20 0.50
HSD17B10 Q99714 4/20 0.50
CYP1A2 P05177 3/20 0.50
ERBB2 P04626 1/20 0.50
FYN P06241 1/20 0.50
MAOA P21397 1/20 0.50
ACHE P22303 1/20 0.50
AHR P35869 1/20 0.50
THRB P10828 1/20 0.50
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA9 Q16790 3/20 0.41
TSHR P16473 3/20 0.40
CYP3A4 P08684 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HPRT1 P00492 3/20 0.39
CYP1A1 P04798 1/20 0.38

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
SCHEMBL4138389 1.00 ALDH1A1 (0.50) ALDH1A1HPGDHSD17B10CYP1A2ERBB2
SCHEMBL4136288 0.93 ALDH1A1 (0.54) ALDH1A1HPGDHSD17B10CYP1A2ERBB2
SCHEMBL16714162 0.92 CYP1A2 (0.49) ALDH1A1HPGDHSD17B10CYP1A2ERBB2
SCHEMBL23879989 0.90 ALDH1A1 (0.55) ALDH1A1HPGDHSD17B10CYP1A2ERBB2
SCHEMBL21176153 0.86 ALDH1A1 (0.55) ALDH1A1HPGDHSD17B10CYP1A2ERBB2
SCHEMBL23109409 0.86 CYP1A2 (0.44) ALDH1A1HPGDHSD17B10CYP1A2ERBB2
SCHEMBL6387948 0.85 CYP1A2 (0.47) ALDH1A1HPGDHSD17B10CYP1A2ERBB2
SCHEMBL22155609 0.85 AHR (0.38) ALDH1A1HPGDHSD17B10CYP1A2ERBB2
SCHEMBL2122937 0.85 ALDH1A1 (0.52) ALDH1A1HPGDHSD17B10CYP1A2ERBB2
SCHEMBL29512003 0.85 ALDH1A1 (0.52) ALDH1A1HPGDHSD17B10CYP1A2ERBB2

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-20090169921-A1 SYNTHESIS OF TRIPHENYLENE AND PYRENE BASED AROMATICS AND THEIR APPLICATION IN OLEDS CHENG, CHIEN-HONG (TW) 2009-07-02 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-20090169921-A1 SYNTHESIS OF TRIPHENYLENE AND PYRENE BASED AROMATICS AND THEIR APPLICATION IN OLEDS OCIAD1, OCIAD2, CYP1A1 ALDH1A1 563/4885HPGD 1811/4885HSD17B10 794/4885

“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.