SCHEMBL21854579

SCHEMBL21854579

CSCc1cc(OCCCCCO)cc([N+](=O)[O-])c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ CHRNB4 P30926 1/20 0.37
▸ CHRNA3 P32297 1/20 0.37
▸ S1PR4 O95977 1/20 0.37
▸ KCNH2 Q12809 2/20 0.36
▸ CHRNB2 P17787 1/20 0.36
▸ CHRNA4 P43681 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ CRHBP P24387 1/20 0.35
▸ CRHR2 Q13324 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ALOX5 P09917 1/20 0.34

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
SCHEMBL17164357 0.99 CHRNB4 (0.37) MAPTL3MBTL1CHRNB4CHRNA3S1PR4
SCHEMBL17164367 0.95 S1PR4 (0.38) MAPTL3MBTL1CHRNB4CHRNA3S1PR4
SCHEMBL18738859 0.87 CNR1 (0.32) —
SCHEMBL28108700 0.86 PPARA (0.42) MAPTL3MBTL1LMNAMEN1KMT2A
SCHEMBL20522004 0.84 MAPT (0.39) MAPTL3MBTL1LMNAMEN1KMT2A
SCHEMBL18703334 0.84 MAPT (0.43) MAPTS1PR4KCNH2CHRNB2CHRNA4
SCHEMBL20521493 0.84 MAPT (0.37) MAPTS1PR4KCNH2CHRNB2CHRNA4
SCHEMBL18738841 0.83 CNR1 (0.31) —
SCHEMBL20448215 0.82 MAPT (0.38) MAPTL3MBTL1S1PR4KCNH2CHRNB2
SCHEMBL20521496 0.81 LSS (0.36) MAPTL3MBTL1CHRNB4CHRNA3S1PR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220281892-A1 NOVEL PTEFB INHIBITING MACROCYCLIC COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 2022-09-08 — — US disclosed
US-11254690-B2 PTEFb inhibiting macrocyclic compounds BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-02-22 — — US disclosed
EP-3601253-B1 NOVEL PTEFB INHIBITING MACROCYCLIC COMPOUNDS BAYER AG (DE) 2021-09-15 — — EP disclosed
US-20200123174-A1 NOVEL PTEFB INHIBITING MACROCYCLIC COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 2020-04-23 — — 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 (3 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-20220281892-A1 NOVEL PTEFB INHIBITING MACROCYCLIC COMPOUNDS PCLAF, PKD1, RHEB MAPT 4687/4885L3MBTL1 2724/4885CHRNB4 4865/4885
US-11254690-B2 PTEFb inhibiting macrocyclic compounds PCLAF, PPIB, RHEB MAPT 4662/4885L3MBTL1 2846/4885CHRNB4 4862/4885
US-20200123174-A1 NOVEL PTEFB INHIBITING MACROCYCLIC COMPOUNDS PCLAF, PKD1, RHEB MAPT 4687/4885L3MBTL1 2724/4885CHRNB4 4865/4885

“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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