SCHEMBL9950341

SCHEMBL9950341

COC(=O)c1ccccc1NC(=O)CC1CC(C)CCC1C(C)C

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.55
KMT2A Q03164 1/20 0.53
P2RX4 Q99571 1/20 0.53
KDM4E B2RXH2 8/20 0.52
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 5/20 0.47
HPGD P15428 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TSHR P16473 3/20 0.46
MAPK10 P53779 1/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HTT P42858 1/20 0.45
RECQL P46063 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL27955603 0.84 P2RX4 (0.44) ALDH1A1KMT2AP2RX4KDM4EHSD17B10
SCHEMBL4886225 0.82 TRPM8 (0.60) ALDH1A1KMT2AP2RX4KDM4ESMN1; SMN2
SCHEMBL2580705 0.80 ALDH1A1 (0.60) ALDH1A1KMT2AP2RX4KDM4EHSD17B10
SCHEMBL21350195 0.78 ALDH1A1 (0.66) ALDH1A1KMT2AP2RX4KDM4ESMN1; SMN2
SCHEMBL19020352 0.78 ALDH1A1 (0.66) ALDH1A1KMT2AP2RX4KDM4ESMN1; SMN2
SCHEMBL19020341 0.78 ALDH1A1 (0.66) ALDH1A1KMT2AP2RX4KDM4ESMN1; SMN2
Methyl Benzoate SCHEMBL27918072 0.77 TRPM8 (0.48) ALDH1A1KMT2AP2RX4HPGDNPSR1
Hydrochloric Acid SCHEMBL18989476 0.77 ALDH1A1 (0.65) ALDH1A1KMT2AP2RX4KDM4ESMN1; SMN2
SCHEMBL18980981 0.74 ALDH1A1 (0.68) ALDH1A1KMT2AP2RX4KDM4ESMN1; SMN2
SCHEMBL18989618 0.74 ALDH1A1 (0.55) ALDH1A1KMT2AP2RX4KDM4ESMN1; SMN2

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-20120165559-A1 Compounds Having a Physiological Effect V. MANE FILS (FR) 2012-06-28 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-20120165559-A1 Compounds Having a Physiological Effect NPPA, CYP11B2, SHBG ALDH1A1 507/4885KMT2A 4572/4885P2RX4 706/4885

“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.