SCHEMBL1828311

SCHEMBL1828311

c1ccc(N[C]2CCCCC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 3/20 0.52
▸ ALDH1A1 P00352 8/20 0.50
▸ TDP1 Q9NUW8 5/20 0.50
▸ ALOX12 P18054 3/20 0.50
▸ L3MBTL1 Q9Y468 3/20 0.50
▸ TSHR P16473 3/20 0.50
▸ ALOX15 P16050 2/20 0.50
▸ PTGS1 P23219 1/20 0.50
▸ SLC6A2 P23975 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ PTGS2 P35354 1/20 0.50
▸ HTR2B P41595 1/20 0.50
▸ MAPT P10636 6/20 0.44
▸ MEN1 O00255 5/20 0.44
▸ KMT2A Q03164 5/20 0.44
▸ AR P10275 1/20 0.44
▸ CDK5 Q00535 1/20 0.42
▸ CDK5R1 Q15078 1/20 0.42
▸ CYP3A4 P08684 2/20 0.41
▸ RECQL P46063 2/20 0.41

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
SCHEMBL3916337 0.97 HSD17B10 (0.55) HSD17B10ALDH1A1TDP1ALOX12L3MBTL1
SCHEMBL1828521 0.92 HSD17B10 (0.55) HSD17B10ALDH1A1TDP1ALOX12L3MBTL1
Diphenylamine SCHEMBL8135380 0.81 HSD17B10 (0.80) HSD17B10ALDH1A1TDP1ALOX12L3MBTL1
Diphenylamine SCHEMBL1691353 0.81 HSD17B10 (0.80) HSD17B10ALDH1A1TDP1ALOX12L3MBTL1
Diphenylamine SCHEMBL8119680 0.81 HSD17B10 (0.80) HSD17B10ALDH1A1TDP1ALOX12L3MBTL1
Diphenylamine SCHEMBL27671770 0.81 HSD17B10 (0.80) HSD17B10ALDH1A1TDP1ALOX12L3MBTL1
Diphenylamine SCHEMBL27851138 0.81 HSD17B10 (0.80) HSD17B10ALDH1A1TDP1ALOX12L3MBTL1
Diphenylamine SCHEMBL29151847 0.78 HSD17B10 (0.75) HSD17B10ALDH1A1TDP1ALOX12L3MBTL1
Diphenylamine SCHEMBL3003404 0.71 HSD17B10 (1.00) HSD17B10ALDH1A1TDP1ALOX12L3MBTL1
Diphenylamine SCHEMBL229 0.71 HSD17B10 (1.00) HSD17B10ALDH1A1TDP1ALOX12L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2318363-A1 HETEROCYCLIC DERIVATIVES AS IAP BINDING COMPOUNDS Nuevolution A/S (DK) 2011-05-11 — — EP claimed
WO-2009152824-A1 HETEROCYCLIC DERIVATIVES AS IAP BINDING COMPOUNDS NUEVOLUTION A/S (DK) 2009-12-23 — — WO claimed
EP-4021391-B1 NOVEL COMPOUNDS FOR SKIN LIGHTENING UNILEVER GLOBAL IP LTD (GB) 2024-01-17 — — EP disclosed
US-20180340174-A1 METHOD FOR IDENTIFICATION OF MOLECULES WITH DESIRED CHARACTERISTICS NANOCORE APS (DK) 2018-11-29 — — US disclosed
EP-3218479-A1 METHOD FOR IDENTIFICATION OF MOLECULES WITH DESIRED CHARACTERISTICS Nanocore ApS (DK) 2017-09-20 — — EP disclosed
WO-2016074683-A1 METHOD FOR IDENTIFICATION OF MOLECULES WITH DESIRED CHARACTERISTICS LUNDORF PEDERSEN MATERIALS APS (DK) 2016-05-19 — — WO disclosed
WO-2014089019-A1 METHODS AND COMPOSITIONS FOR TREATING VASOMOTOR SYMPTOMS UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2014-06-12 — — WO disclosed
US-20110230419-A1 IAP BINDING COMPOUNDS NUEVOLUTION A/S (DK) 2011-09-22 — — US disclosed
EP-2318363-A1 HETEROCYCLIC DERIVATIVES AS IAP BINDING COMPOUNDS Nuevolution A/S (DK) 2011-05-11 — — EP disclosed
WO-2009152824-A1 HETEROCYCLIC DERIVATIVES AS IAP BINDING COMPOUNDS NUEVOLUTION A/S (DK) 2009-12-23 — — WO disclosed
US-4452943-A ADDING NITRILE-CONTAINING MATERIAL TO NON-POLAR THERMOPLASTIC POLYMER GOLDMAN CONRAD 1984-06-05 — — 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-20110230419-A1 IAP BINDING COMPOUNDS BIRC5, BIRC7, BIRC3 HSD17B10 3957/4885ALDH1A1 2947/4885TDP1 2083/4885

“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.

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