SCHEMBL3859752

SCHEMBL3859752

OB(O)c1ccccc1-c1ccc2ccc3cccc4ccc1c2c34

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.44
HPGD P15428 6/20 0.44
HSD17B10 Q99714 6/20 0.44
TSHR P16473 4/20 0.44
CYP3A4 P08684 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP1A2 P05177 4/20 0.42
ERBB2 P04626 1/20 0.42
FYN P06241 1/20 0.42
MAOA P21397 1/20 0.42
ACHE P22303 1/20 0.42
AHR P35869 1/20 0.42
THRB P10828 1/20 0.41
PPARG P37231 2/20 0.40
KDM4E B2RXH2 3/20 0.39
MAPT P10636 1/20 0.39
CYP1A1 P04798 1/20 0.38
CYP1B1 Q16678 1/20 0.38
MAPK1 P28482 2/20 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
SCHEMBL31544308 1.00 ALDH1A1 (0.44) ALDH1A1HPGDHSD17B10TSHRCYP3A4
SCHEMBL5162965 0.87 CYP1A2 (0.47) ALDH1A1HPGDHSD17B10TSHRCYP3A4
SCHEMBL28486608 0.83 ALDH1A1 (0.42) ALDH1A1HPGDHSD17B10TSHRCYP3A4
SCHEMBL5334139 0.81 ALDH1A1 (0.56) ALDH1A1HPGDHSD17B10TSHRCYP3A4
SCHEMBL25224194 0.80 CRHBP (0.47) ALDH1A1HPGDHSD17B10TSHRCYP3A4
SCHEMBL30390526 0.80 ALDH1A1 (0.41) ALDH1A1HPGDHSD17B10TSHRTDP1
SCHEMBL590641 0.80 ALDH1A1 (0.41) ALDH1A1HPGDHSD17B10TSHRTDP1
SCHEMBL29410295 0.80 ALDH1A1 (0.41) ALDH1A1HPGDHSD17B10TSHRTDP1
SCHEMBL2956150 0.79 ALDH1A1 (0.64) ALDH1A1HPGDHSD17B10TSHRCYP3A4
SCHEMBL29413360 0.79 ALDH1A1 (0.61) ALDH1A1HPGDHSD17B10TSHRCYP3A4

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-7585574-B2 Pyrene derivative and organic electroluminescence device making use of the same IDEMITSU KOSAN CO., LTD. (JP) 2009-09-08 US disclosed
US-20080124571-A1 PYRENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE MAKING USE OF THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2008-05-29 US disclosed
EP-1905754-A1 PYRENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE MAKING USE OF THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2008-04-02 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-20080124571-A1 PYRENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE MAKING USE OF THE SAME PPOX, CYBA, EBPL ALDH1A1 1639/4885HPGD 1231/4885HSD17B10 1359/4885

“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.