SCHEMBL9965382

SCHEMBL9965382

CC(C)CC(=O)N1CCC(C(=O)Nc2ccccc2Oc2ccc(Cl)cc2Cl)CC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.51
POLB P06746 1/20 0.49
TRPV1 Q8NER1 2/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ACHE P22303 1/20 0.46
BACE1 P56817 1/20 0.46
MGLL Q99685 1/20 0.44
MAPT P10636 2/20 0.44
GAA P10253 2/20 0.43
PKM P14618 1/20 0.43
NPY5R Q15761 2/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
TP53 P04637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL9965439 0.88 KMT2A (0.53) POLBTRPV1KMT2AMEN1ALDH1A1
SCHEMBL10173900 0.87 PTPN1 (0.53) PTPN1POLBTRPV1KMT2AALDH1A1
SCHEMBL9965413 0.87 CNR1 (0.46) POLBKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL640994 0.86 ACHE (0.51) POLBKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL5073382 0.85 GAA (0.52) POLBKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL14639656 0.84 PTPN1 (0.49) PTPN1POLBTRPV1KMT2AALDH1A1
SCHEMBL640990 0.83 STS (0.52) PTPN1KMT2AACHEBACE1MGLL
SCHEMBL9965441 0.83 SMN1; SMN2 (0.48) PTPN1POLBKMT2AMEN1SMN1; SMN2
SCHEMBL642341 0.83 ACHE (0.66) PTPN1KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL9965398 0.82 SMN1; SMN2 (0.50) PTPN1KMT2AMEN1SMN1; SMN2ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1960347-B1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 3 (17BETA-HSD3) INHIBITORS STERIX LTD (GB) 2012-06-20 EP disclosed
US-8119627-B2 Heterocyclic compounds as inhibitors of 17beta-HSD3 STERIX LIMITED (GB) 2012-02-21 US disclosed
US-8119627-B2 Heterocyclic compounds as inhibitors of 17beta-HSD3 STERIX LIMITED (GB) 2012-02-21 US disclosed
US-20090023710-A1 Compound OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2009-01-22 US disclosed
US-20090023710-A1 Compound OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2009-01-22 US disclosed
WO-2007003934-A2 17BETA-HYDR0XYSTER0ID DEHYDROGENASE TYPE 3 (17BETA-HSD3 ) INHIBITORS STERIX LIMITED (GB) 2007-01-11 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-20090023710-A1 Compound NR1H3, NR1H2, NR1H4 PTPN1 2512/4885POLB 3790/4885TRPV1 2200/4885

“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.