SCHEMBL6576829

SCHEMBL6576829

COC(=O)[C@H](C)Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.55
THRB P10828 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
HSD17B10 Q99714 1/20 0.55
HDAC1 Q13547 4/20 0.54
HDAC6 Q9UBN7 4/20 0.54
MME P08473 5/20 0.54
ACE P12821 5/20 0.54
CPA1 P15085 2/20 0.52
ACE2 Q9BYF1 2/20 0.52
SRR Q9GZT4 2/20 0.51
PSAT1 Q9Y617 2/20 0.51
PPARG P37231 2/20 0.50
PPARA Q07869 2/20 0.50
ACACB O00763 1/20 0.50
MMP12 P39900 1/20 0.50

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
SCHEMBL2600694 0.90 ALDH1A1 (0.60) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL17761604 0.90 ALDH1A1 (0.60) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL517463 0.90 ALDH1A1 (0.60) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
Ammonia Solution, Strong SCHEMBL9995407 0.88 ALDH1A1 (0.59) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL8522871 0.85 MME (0.50) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL20583645 0.85 MME (0.50) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL20583647 0.85 MME (0.50) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL20583644 0.85 MME (0.50) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL15478876 0.84 MME (0.57) HDAC1HDAC6MMEACE
SCHEMBL12406884 0.83 CYP17A1 (0.44) HDAC1HDAC6MME

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-10774036-B2 Process for early sacubitril intermediates NOVARTIS AG (CH) 2020-09-15 US disclosed
EP-1397358-A1 TROPANE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2004-03-17 EP disclosed
WO-2002102801-A1 TROPANE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2002-12-27 WO 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-10774036-B2 Process for early sacubitril intermediates MME, ACE, DNPEP ALDH1A1 247/4885THRB 1107/4885CYP2C9 419/4885

“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.