SCHEMBL25930735

SCHEMBL25930735

O=c1c2ccccc2c2ccccc2n1Cc1ccc2cc3ccccc3cc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.47
PGR P06401 2/20 0.47
RORA P35398 2/20 0.47
RORC P51449 2/20 0.47
RORB Q92753 2/20 0.47
MAPT P10636 2/20 0.46
VDR P11473 1/20 0.46
GAA P10253 1/20 0.46
CYP19A1 P11511 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
P2RX4 Q99571 3/20 0.44
F2 P00734 2/20 0.44
F10 P00742 2/20 0.44
PRSS1 P07477 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HIF1A Q16665 1/20 0.43

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
SCHEMBL25930709 0.92 MCL1 (0.44) MCL1PGRRORARORCRORB
SCHEMBL25930705 0.90 PGR (0.43) MCL1PGRRORARORCRORB
SCHEMBL25930681 0.90 CYP1A2 (0.47) MCL1PGRRORARORCRORB
SCHEMBL25930678 0.88 PGR (0.47) MCL1PGRRORARORCRORB
SCHEMBL28758680 0.82 CYP19A1 (0.60) MCL1VDRCYP19A1P2RX4F2
SCHEMBL25930731 0.80 PGR (0.50) PGRRORARORCRORBMAPT
SCHEMBL25930733 0.78 ALDH1A1 (0.46) PGRRORARORCRORBMAPT
SCHEMBL25930714 0.78 ALDH1A1 (0.43) PGRRORARORCRORBMAPT
SCHEMBL25930711 0.77 ALDH1A1 (0.42) PGRRORARORCRORBMAPT
SCHEMBL25930739 0.76 PGR (0.43) PGRRORARORCRORBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11713319-B2 Compounds having valerolactam structures MERCK PATENT GMBH (DE) 2023-08-01 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-11713319-B2 Compounds having valerolactam structures ACE, CYP3A4, CYP2D6 MCL1 3751/4885PGR 818/4885RORA 301/4885

“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.