SCHEMBL2999442

SCHEMBL2999442

c1ccc2c(-c3cccc4c3ccc3c(-c5cccc6ccccc56)c5ccccc5cc34)cccc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 1/20 0.55
GPR84 Q9NQS5 1/20 0.46
ALDH1A1 P00352 3/20 0.45
HIF1A Q16665 3/20 0.45
HSD17B10 Q99714 2/20 0.45
CYP1B1 Q16678 1/20 0.45
CES1 P23141 1/20 0.43
HPRT1 P00492 3/20 0.43
HPGD P15428 2/20 0.41
MAPK1 P28482 2/20 0.41
TSHR P16473 1/20 0.41
CASP1 P29466 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
DHFR P00374 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP1A2 P05177 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALPL P05186 1/20 0.40
GAA P10253 1/20 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
SCHEMBL13249096 0.86 SOS1 (0.47) SOS1GPR84ALDH1A1HIF1AHSD17B10
SCHEMBL13249094 0.86 SOS1 (0.47) SOS1GPR84ALDH1A1HIF1AHSD17B10
SCHEMBL7243627 0.86 CES1 (0.52) SOS1GPR84ALDH1A1HIF1AHSD17B10
SCHEMBL338172 0.86 CES1 (0.55) SOS1GPR84ALDH1A1HIF1AHSD17B10
SCHEMBL3000947 0.85 SOS1 (0.53) SOS1GPR84ALDH1A1HIF1AHSD17B10
SCHEMBL25956797 0.85 ALDH1A1 (0.50) SOS1GPR84ALDH1A1HIF1AHSD17B10
SCHEMBL13249087 0.84 SOS1 (0.46) SOS1GPR84ALDH1A1HIF1AHSD17B10
SCHEMBL28376294 0.84 HPRT1 (0.58) SOS1ALDH1A1HIF1AHSD17B10CYP1B1
SCHEMBL25978038 0.84 HPRT1 (0.64) SOS1ALDH1A1HIF1AHSD17B10CYP1B1
SCHEMBL29407412 0.83 ALDH1A1 (0.50) ALDH1A1HIF1AHSD17B10HPRT1HPGD

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-8986852-B2 Benzanthracene derivatives for organic electroluminescent devices MERCK PATENT GMBH (DE) 2015-03-24 US disclosed
EP-2148909-B1 BENZANTHRACENE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-05-30 EP disclosed
US-20100187505-A1 BENZANTHRACENE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENT DEVICES IDEMITSU KOSAN CO., LTD. (JP) 2010-07-29 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-20100187505-A1 BENZANTHRACENE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENT DEVICES KCNT1, KCNC1, TMEM109 SOS1 3965/4885GPR84 1746/4885ALDH1A1 26/4885

“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.