SCHEMBL4444137

SCHEMBL4444137

CCCCc1ccc(-c2ccc3ccc4cccc5ccc2c3c45)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.40
RARB P10826 3/20 0.40
TSHR P16473 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TLR8 Q9NR97 1/20 0.39
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
PSMB5 P28074 1/20 0.38
MPL P40238 2/20 0.38
DHODH Q02127 1/20 0.38
CTSV O60911 1/20 0.37
CTSL P07711 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
SCHEMBL6058898 0.95 TLR8 (0.43) HSD11B1RARBTSHRALDH1A1CYP3A4
SCHEMBL28830953 0.94 RARB (0.44) HSD11B1RARBTSHRALDH1A1CYP3A4
SCHEMBL4451026 0.94 RARB (0.44) HSD11B1RARBTSHRALDH1A1HPGD
SCHEMBL4444985 0.94 RARB (0.44) HSD11B1RARBTSHRALDH1A1HPGD
SCHEMBL15673109 0.88 PSMB5 (0.42) HSD11B1RARBTSHRTLR8NPC1
SCHEMBL19410763 0.86 HSD11B1 (0.43) HSD11B1RARBTSHRALDH1A1HPGD
SCHEMBL4451024 0.85 SPHK1 (0.41) HSD11B1RARBTSHRALDH1A1CYP3A4
SCHEMBL4451022 0.85 SPHK1 (0.41) HSD11B1RARBTSHRALDH1A1CYP3A4
SCHEMBL4449698 0.85 PSMB5 (0.40) HSD11B1RARBTSHRALDH1A1CYP3A4
SCHEMBL6058879 0.81 LPL (0.42) TSHRALDH1A1CYP3A4HPGDHSD17B10

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
CN-114965393-A Method for detecting nitro-aromatic hydrocarbon pollutants by using pyrenyl derivatives 山东理工大学 2022-08-30 CN disclosed
CN-103649024-A Method for producing polycyclic aromatic compound substituted by aryl group UNIV NAGOYA NAT UNIV CORP 2014-03-19 CN disclosed
US-20090179196-A1 Pyrene-Based Organic Compound, Transistor Material and Light-Emitting Transistor Device KYUSHU UNIVERSITY (JP) 2009-07-16 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-20090179196-A1 Pyrene-Based Organic Compound, Transistor Material and Light-Emitting Transistor Device PPOX, JUP, TARDBP HSD11B1 1187/4885RARB 829/4885TSHR 2983/4885

“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.