SCHEMBL17835283

SCHEMBL17835283

CC(C)(c1ccc(O)cc1)c1ccc(Oc2ccc(C#N)c(C#N)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.47
ESR1 P03372 4/20 0.47
ESR2 Q92731 4/20 0.47
HPGD P15428 3/20 0.47
CYP3A4 P08684 2/20 0.47
TSHR P16473 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
HTR6 P50406 1/20 0.47
ESRRG P62508 1/20 0.47
SLC6A3 Q01959 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CYP19A1 P11511 1/20 0.44
ALDH1A1 P00352 3/20 0.43
PDE4B Q07343 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
MAOB P27338 1/20 0.40
LTA4H P09960 1/20 0.40

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
SCHEMBL1373841 0.92 CYP19A1 (0.50) ARHPGDCYP19A1ALDH1A1PDE4B
SCHEMBL19426444 0.92 CYP19A1 (0.50) ARHPGDCYP19A1ALDH1A1PDE4B
SCHEMBL19575062 0.88 CYP19A1 (0.47) ARHPGDCYP19A1ALDH1A1PDE4B
SCHEMBL19280740 0.87 CYP19A1 (0.54) ARESR1ESR2HPGDCYP19A1
SCHEMBL30473827 0.87 CYP19A1 (0.54) ARESR1ESR2HPGDCYP19A1
SCHEMBL12149421 0.87 CYP19A1 (0.52) ARHPGDCYP19A1ALDH1A1PDE4B
SCHEMBL15353786 0.87 AR (0.50) ARHPGDCYP3A4CYP19A1ALDH1A1
SCHEMBL1501411 0.87 ALDH1A1 (0.53) ARHPGDCYP19A1ALDH1A1PDE4B
SCHEMBL19426415 0.85 CYP19A1 (0.48) ARESR1ESR2HPGDCYP19A1
SCHEMBL12256413 0.85 CYP19A1 (0.42) ARHPGDCYP19A1ALDH1A1PDE4B

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-9394404-B2 Synthesis and polymerization of oligomeric aliphatic-aromatic based phthalonitriles THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2016-07-19 US disclosed
US-20160168326-A1 SYNTHESIS AND POLYMERIZATION OF OLIGOMERIC ALIPHATIC-AROMATIC BASED PHTHALONITRILES THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2016-06-16 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-20160168326-A1 SYNTHESIS AND POLYMERIZATION OF OLIGOMERIC ALIPHATIC-AROMATIC BASED PHTHALONITRILES AHR, NR4A1, ARNT AR 5/4885ESR1 1007/4885ESR2 478/4885

“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.