SCHEMBL21368368

SCHEMBL21368368

Brc1ccc2c(c1)-c1cccc3c(-c4cccc5ccccc45)ccc-2c13

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.50
ALDH1A1 P00352 3/20 0.50
TSHR P16473 3/20 0.50
HSD17B10 Q99714 3/20 0.50
HPGD P15428 2/20 0.50
CASP1 P29466 2/20 0.50
HIF1A Q16665 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
PTPRC P08575 1/20 0.46
HKDC1 Q2TB90 1/20 0.45
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
TP53 P04637 1/20 0.42
CASP7 P55210 1/20 0.42
ATM Q13315 1/20 0.42
BCL2 P10415 1/20 0.41
CYP2A6 P11509 1/20 0.39
CYP1A2 P05177 2/20 0.39

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
SCHEMBL12214794 0.86 ALDH1A1 (0.55) MAPK1ALDH1A1TSHRHSD17B10HPGD
SCHEMBL15673011 0.85 ALDH1A1 (0.59) MAPK1ALDH1A1TSHRHSD17B10HPGD
SCHEMBL20598790 0.83 ALDH1A1 (0.43) MAPK1ALDH1A1TSHRHSD17B10HPGD
Fluoranthene SCHEMBL27657669 0.83 CYP1A2 (0.51) MAPK1ALDH1A1TSHRHSD17B10HPGD
SCHEMBL27657670 0.83 CYP1A2 (0.51) MAPK1ALDH1A1TSHRHSD17B10HPGD
SCHEMBL29709293 0.81 ALDH1A1 (0.58) MAPK1ALDH1A1TSHRHSD17B10HPGD
SCHEMBL5011063 0.81 ALDH1A1 (0.58) MAPK1ALDH1A1TSHRHSD17B10HPGD
SCHEMBL24870967 0.80 PTPRC (0.46) MAPK1ALDH1A1TSHRHSD17B10HPGD
SCHEMBL2261886 0.80 CYP1A2 (0.50) MAPK1ALDH1A1TSHRHSD17B10HPGD
SCHEMBL29485718 0.80 CYP1A2 (0.50) MAPK1ALDH1A1TSHRHSD17B10HPGD

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-11302870-B2 Materials for electronic devices MERCK PATENT GMBH (DE) 2022-04-12 US disclosed
US-20190288206-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2019-09-19 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 (2 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-11302870-B2 Materials for electronic devices EFNA1, PNMT, FLNB MAPK1 1133/4885ALDH1A1 365/4885TSHR 3467/4885
US-20190288206-A1 MATERIALS FOR ELECTRONIC DEVICES EFNA1, PNMT, FLNB MAPK1 1096/4885ALDH1A1 337/4885TSHR 3505/4885

“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.