SCHEMBL25930733

SCHEMBL25930733

O=c1c2ccccc2c2ccccc2n1Cc1cccc2cc3ccccc3cc12

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
PGR P06401 1/20 0.46
RORA P35398 1/20 0.46
RORC P51449 1/20 0.46
RORB Q92753 1/20 0.46
GAA P10253 1/20 0.44
KDM4E B2RXH2 3/20 0.43
CMA1 P23946 1/20 0.43
THRB P10828 1/20 0.42
MAPT P10636 3/20 0.41
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
DNM1 Q05193 1/20 0.39
F11 P03951 1/20 0.38

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
SCHEMBL25930714 0.93 ALDH1A1 (0.43) ALDH1A1PGRRORARORCRORB
SCHEMBL25930711 0.89 ALDH1A1 (0.42) ALDH1A1PGRRORARORCRORB
SCHEMBL25930694 0.84 TDP1 (0.49) ALDH1A1PGRRORARORCRORB
SCHEMBL25930731 0.82 PGR (0.50) ALDH1A1PGRRORARORCRORB
SCHEMBL25930705 0.81 PGR (0.43) ALDH1A1PGRRORARORCRORB
SCHEMBL25930690 0.80 ALDH1A1 (0.46) ALDH1A1PGRRORARORCRORB
SCHEMBL25930709 0.80 MCL1 (0.44) ALDH1A1PGRRORARORCRORB
SCHEMBL25930735 0.78 MCL1 (0.47) ALDH1A1PGRRORARORCRORB
SCHEMBL25930717 0.78 PGR (0.43) ALDH1A1PGRRORARORCRORB
SCHEMBL17004024 0.76 ALDH1A1 (0.50) ALDH1A1PGRRORARORCRORB

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 ALDH1A1 165/4885PGR 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.