SCHEMBL3780376

SCHEMBL3780376

[c]1ccc2ccc(-c3ccc4c(ccc5ccccc54)c3)cc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
HSD17B10 Q99714 3/20 0.45
CYP1B1 Q16678 3/20 0.45
HIF1A Q16665 1/20 0.45
HPRT1 P00492 3/20 0.43
CYP2A6 P11509 1/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ESR1 P03372 3/20 0.39
ESR2 Q92731 3/20 0.39
HSD17B1 P14061 4/20 0.39
HSD17B2 P37059 4/20 0.39
CYP1A2 P05177 3/20 0.38
CYP1A1 P04798 2/20 0.38
ERBB2 P04626 1/20 0.38
FYN P06241 1/20 0.38
MAOA P21397 1/20 0.38
ACHE P22303 1/20 0.38
AHR P35869 1/20 0.38
ALOX5 P09917 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
SCHEMBL3775172 0.93 ALDH1A1 (0.45) ALDH1A1HSD17B10CYP1B1HIF1AHPRT1
SCHEMBL2274784 0.87 ESR1 (0.50) ALDH1A1ESR1ESR2HSD17B1HSD17B2
SCHEMBL3785955 0.87 CYP11B1 (0.41) ALDH1A1HSD17B10CYP1B1HIF1AHPRT1
SCHEMBL11898490 0.84 ESR1 (0.47) ALDH1A1HSD17B10HIF1ATDP1ESR1
SCHEMBL3777200 0.84 ALDH1A1 (0.50) ALDH1A1HSD17B10CYP1B1HIF1AHPRT1
SCHEMBL2271000 0.83 ESR1 (0.50) ALDH1A1ESR1ESR2HSD17B1HSD17B2
SCHEMBL2267781 0.83 MCL1 (0.43) HSD17B1HSD17B2CYP1A2
SCHEMBL18317630 0.83 ESR1 (0.44) ALDH1A1HSD17B10CYP1B1HIF1AESR1
SCHEMBL3783466 0.83 ALDH1A1 (0.45) ALDH1A1HSD17B10CYP1B1HIF1AHPRT1
SCHEMBL394160 0.82 ALDH1A1 (0.59) ALDH1A1HSD17B10CYP1B1HIF1AHPRT1

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 ALDH1A1 1250/4885HSD17B10 2313/4885CYP1B1 505/4885

“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.