SCHEMBL10101925

SCHEMBL10101925

CCCN1C(=O)CC(SCC)C1=O

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.45
ALDH1A1 P00352 5/20 0.42
TSHR P16473 2/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
HPGD P15428 1/20 0.36
FOLH1 Q04609 2/20 0.35
MEN1 O00255 2/20 0.35
POLB P06746 1/20 0.35
PKM P14618 1/20 0.35
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL17570449 0.90 ALDH1A1 (0.52) CYP19A1ALDH1A1TSHRHTTKMT2A
SCHEMBL12923088 0.88 CYP19A1 (0.49) CYP19A1ALDH1A1TSHRHTTKMT2A
SCHEMBL15216228 0.88 CYP19A1 (0.44) CYP19A1ALDH1A1TSHRHTTKMT2A
SCHEMBL22455882 0.87 CYP19A1 (0.50) CYP19A1ALDH1A1KMT2ASMN1; SMN2FOLH1
SCHEMBL22931733 0.86 ALDH1A1 (0.44) CYP19A1ALDH1A1TSHRHTTKMT2A
SCHEMBL23675903 0.85 TSHR (0.53) ALDH1A1TSHRHTTKMT2ATDP1
SCHEMBL13964301 0.85 TSHR (0.53) ALDH1A1TSHRHTTKMT2ATDP1
SCHEMBL12107697 0.84 CYP19A1 (0.46) CYP19A1ALDH1A1TSHRHTTKMT2A
SCHEMBL22388963 0.83 FOLH1 (0.40) CYP19A1ALDH1A1TSHRHTTKMT2A
SCHEMBL19749328 0.83 HTT (0.40) CYP19A1ALDH1A1TSHRHTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9841426-B2 Intracellular organelle peptide targeted enzyme substrates MARKER GENE TECHNOLOGIES, INC (US) 2017-12-12 US disclosed
US-20120046461-A1 STEROIDAL ANTI-HORMONE HYBRIDS NORTHEASTERN UNIVERSITY (US) 2012-02-23 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 (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-20120046461-A1 STEROIDAL ANTI-HORMONE HYBRIDS ESRRA, ESRRB, NR5A1 CYP19A1 25/4885ALDH1A1 2752/4885TSHR 1263/4885

“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.