SCHEMBL3417362

SCHEMBL3417362

c1ccc2c(c1)CCc1cc3ccccc3cc1-2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 1/20 0.48
SRD5A2 P31213 1/20 0.48
CES1 P23141 1/20 0.48
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
HSD17B10 Q99714 3/20 0.43
ALDH1A1 P00352 3/20 0.43
TP53 P04637 2/20 0.43
TSHR P16473 2/20 0.43
MAPK1 P28482 2/20 0.43
HPGD P15428 2/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
HIF1A Q16665 1/20 0.43
MITF O75030 1/20 0.41
HSP90AA1 P07900 1/20 0.41
KDM4E B2RXH2 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40

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
SCHEMBL4818156 0.85 CES1 (0.56) SRD5A1SRD5A2CES1RAB9ANPC1
Benzo[B]Fluorene SCHEMBL29367443 0.82 ALDH1A1 (0.55) SRD5A2RAB9ANPC1HSD17B10ALDH1A1
Benzo[B]Fluorene SCHEMBL599104 0.82 ALDH1A1 (0.55) SRD5A2RAB9ANPC1HSD17B10ALDH1A1
Benzo[B]Fluorene SCHEMBL30914260 0.82 ALDH1A1 (0.55) SRD5A2RAB9ANPC1HSD17B10ALDH1A1
Dihydrophenanthrene SCHEMBL155991 0.80 CES1 (0.68) SRD5A1SRD5A2CES1RAB9ANPC1
Dihydrophenanthrene SCHEMBL30297028 0.80 CES1 (0.68) SRD5A1SRD5A2CES1RAB9ANPC1
Dihydrophenanthrene SCHEMBL29404495 0.80 CES1 (0.68) SRD5A1SRD5A2CES1RAB9ANPC1
SCHEMBL4851856 0.78 SMN1; SMN2 (0.52) SRD5A2RAB9ANPC1HSD17B10ALDH1A1
SCHEMBL30713642 0.78 NPC1 (0.42) SRD5A1SRD5A2CES1RAB9ANPC1
SCHEMBL5357317 0.77 RAB9A (0.55) SRD5A1SRD5A2CES1RAB9ANPC1

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-8357821-B2 Aromatic amine compound, organic electroluminescent element including the same, and display device including organic electroluminescent element SONY CORPORATION (JP) 2013-01-22 US disclosed
US-20100109555-A1 AROMATIC AMINE COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT INCLUDING THE SAME, AND DISPLAY DEVICE INCLUDING ORGANIC ELECTROLUMINESCENT ELEMENT SONY CORPORATION (JP) 2010-05-06 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-20100109555-A1 AROMATIC AMINE COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT INCLUDING THE SAME, AND DISPLAY DEVICE INCLUDING ORGANIC ELECTROLUMINESCENT ELEMENT AOC2, NR2E1, AOC3 SRD5A1 457/4885SRD5A2 358/4885CES1 2881/4885

“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.