SCHEMBL3781232

SCHEMBL3781232

CCC(C)N1C(=O)c2ccc3c4c(Br)cc5c6c(ccc(c7c(Br)cc(c2c37)C1=O)c64)C(=O)N(C(C)CC)C5=O

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 2/20 0.37
TERT O14746 5/20 0.35
TDP1 Q9NUW8 1/20 0.34
PIN1 Q13526 1/20 0.33
PIN4 Q9Y237 1/20 0.33
STAT3 P40763 1/20 0.31
HIF1A Q16665 1/20 0.31
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30
KMT2A Q03164 1/20 0.30
GRIA1 P42261 1/20 0.30
GRIA2 P42262 1/20 0.30
GRIA3 P42263 1/20 0.30
GRIA4 P48058 1/20 0.30

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
SCHEMBL13010687 0.94 CYP1B1 (0.33) CYP1B1TERTTDP1PIN1PIN4
SCHEMBL13754701 0.93 TERT (0.34) CYP1B1TERTTDP1
SCHEMBL3723988 0.89 CYP1B1 (0.35) CYP1B1TERTTDP1PIN1PIN4
SCHEMBL3768159 0.89 TERT (0.35) CYP1B1TERTTDP1PIN1PIN4
SCHEMBL44947 0.87 CYP1B1 (0.38) CYP1B1TERTPIN1PIN4STAT3
SCHEMBL10819507 0.87 CYP1B1 (0.34) CYP1B1TERTTDP1PIN1PIN4
SCHEMBL1793691 0.87 CYP1B1 (0.34) CYP1B1TERTTDP1PIN1PIN4
SCHEMBL3773226 0.86 SHMT2 (0.34) CYP1B1TERTTDP1STAT3HIF1A
SCHEMBL19957599 0.86 TSHR (0.31)
SCHEMBL12869446 0.85 TERT (0.36) CYP1B1TERTSTAT3HIF1AKDM4E

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2240970-B1 PERYLENE SEMICONDUCTORS AND METHODS OF PREPARATION AND USE THEREOF BASF SE (DE) 2018-03-14 EP disclosed
EP-2240970-B1 PERYLENE SEMICONDUCTORS AND METHODS OF PREPARATION AND USE THEREOF BASF SE (DE) 2018-03-14 EP disclosed
US-8404844-B2 Perylene semiconductors and methods of preparation and use thereof BASF SE (DE) 2013-03-26 US disclosed
US-8404844-B2 Perylene semiconductors and methods of preparation and use thereof BASF SE (DE) 2013-03-26 US disclosed
US-20100319778-A1 PERYLENE SEMICONDUCTORS AND METHODS OF PREPARATION AND USE THEREOF BASF SE (DE) 2010-12-23 US disclosed
WO-2009098252-A1 PERYLENE SEMICONDUCTORS AND METHODS OF PREPARATION AND USE THEREOF BASF SE (DE) 2009-08-13 WO 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-20100319778-A1 PERYLENE SEMICONDUCTORS AND METHODS OF PREPARATION AND USE THEREOF CDYL, PNN, CPNE4 CYP1B1 1024/4885TERT 1226/4885TDP1 1957/4885

“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.