SCHEMBL21498278

SCHEMBL21498278

Cc1cc(-c2cccc3c2C(=O)c2ccccc2-3)c(C)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A1 P04798 1/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ MAPT P10636 5/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ LMNA P02545 3/20 0.41
▸ ADORA2A P29274 1/20 0.41
▸ S100A4 P26447 2/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ NPC1 O15118 3/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ ELANE P08246 2/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ CASP3 P42574 1/20 0.40
▸ HBB P68871 1/20 0.40
▸ SENP7 Q9BQF6 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
SCHEMBL21498265 0.81 CYP1A1 (0.49) CYP1A1CYP1A2MAPTALDH1A1LMNA
SCHEMBL19299612 0.80 S100A4 (0.58) CYP1A1CYP1A2MAPTALDH1A1LMNA
SCHEMBL29587496 0.78 ELANE (0.55) CYP1A1CYP1A2MAPTALDH1A1LMNA
SCHEMBL1132044 0.78 ELANE (0.55) CYP1A1CYP1A2MAPTALDH1A1LMNA
SCHEMBL21498259 0.77 ELANE (0.55) CYP1A1CYP1A2MAPTALDH1A1LMNA
SCHEMBL1480100 0.76 MAPT (0.50) CYP1A1CYP1A2MAPTALDH1A1LMNA
SCHEMBL19299398 0.76 PTPRC (0.55) CYP1A1CYP1A2MAPTALDH1A1LMNA
SCHEMBL3976848 0.74 SMN1; SMN2 (0.55) CYP1A1CYP1A2MAPTALDH1A1LMNA
SCHEMBL8671883 0.74 ADORA2A (0.57) CYP1A1CYP1A2MAPTALDH1A1LMNA
SCHEMBL29908547 0.74 SMN1; SMN2 (0.55) CYP1A1CYP1A2MAPTALDH1A1LMNA

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-11538996-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2022-12-27 — — US disclosed
EP-3419960-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-07-01 — — EP disclosed
US-10454041-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2019-10-22 — — 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-10454041-B2 Materials for organic electroluminescent devices RIF1, INTS9, LEF1 CYP1A1 20/4885CYP1A2 118/4885MAPT 3512/4885
US-11538996-B2 Materials for organic electroluminescent devices RIF1, INTS9, LEF1 CYP1A1 20/4885CYP1A2 118/4885MAPT 3512/4885

“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.

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