SCHEMBL97622

SCHEMBL97622

CC(C)(C=O)COc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.41
ALOX15 P16050 1/20 0.41
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
CASP3 P42574 1/20 0.40
RAB9A P51151 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
LTA4H P09960 1/20 0.39
PPARA Q07869 1/20 0.39
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
SSTR4 P31391 1/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
LMNA P02545 1/20 0.38
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL3883446 0.82 ALDH1A1 (0.45) ALOX15NPC1PPARADRD2DRD4
SCHEMBL11326738 0.81 KCNA3 (0.48) KCNA3NPC1POLBCASP3RAB9A
SCHEMBL6478956 0.80 KCNA3 (0.41) KCNA3ALOX15LTA4HPKMLMNA
SCHEMBL5252032 0.77 AOC3 (0.39) KCNA3ALOX15LTA4HPPARAPKM
SCHEMBL97004 0.77 KCNA3 (0.46) KCNA3ALOX15LTA4HPPARAPKM
SCHEMBL677488 0.76 KCNA3 (0.50) KCNA3ALOX15LTA4HPKMLMNA
SCHEMBL2200517 0.76 KCNA3 (0.50) KCNA3ALOX15LTA4HPKMLMNA
SCHEMBL4984322 0.76 KCNA3 (0.50) KCNA3ALOX15LTA4HPKMLMNA
SCHEMBL16560593 0.74 ALDH1A1 (0.35) SMN1; SMN2ALDH1A1
SCHEMBL21100105 0.73 PPARG (0.35) ALOX15NPC1POLBCASP3RAB9A

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 134 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2651875-B1 AMINES HAVING SECONDARY ALIPHATIC AMINO GROUPS SIKA TECH AG (CH) 2017-08-30 EP claimed
US-20130237681-A1 AMINES HAVING SECONDARY ALIPHATIC AMINO GROUPS SIKA TECHNOLOGY AG (CH) 2013-09-12 US claimed
EP-2465842-A1 Amines with secondary aliphatic amines Sika Technology AG (CH) 2012-06-20 EP claimed
US-20100130674-A1 METHOD FOR THE PRODUCTION OF POLYURETHANE COMPOSITIONS WITH A LOW ISOCYANATE MONOMER CONTENT SIKA TECHNOLOGY AG (CH) 2010-05-27 US claimed
EP-2132246-A1 METHOD FOR THE PRODUCTION OF POLYURETHANE COMPOSITIONS WITH A LOW ISOCYANATE MONOMER CONTENT Sika Technology AG (CH) 2009-12-16 EP claimed
WO-2008116927-A1 METHOD FOR THE PRODUCTION OF POLYURETHANE COMPOSITIONS WITH A LOW ISOCYANATE MONOMER CONTENT SIKA TECHNOLOGY AG (CH) 2008-10-02 WO claimed
EP-1975187-A1 Method for manufacturing polyurethane compounds with low isocyanate-monomer content Sika Technology AG (CH) 2008-10-01 EP claimed
US-12516147-B2 Aldimines and uses thereof BOSTIK SA (FR) 2026-01-06 US disclosed
US-12421345-B2 Polyimines and uses thereof BOSTIK SA (FR) 2025-09-23 US disclosed
EP-4077273-B1 ALDIMINES AND USES THEREOF BOSTIK SA (FR) 2025-04-02 EP disclosed
EP-4077446-B1 POLYIMINES AND USES THEREOF BOSTIK SA (FR) 2023-08-23 EP disclosed
US-20230038642-A1 ALDIMINES AND USES THEREOF BOSTIK SA (FR) 2023-02-09 US disclosed
US-20230044535-A1 POLYIMINES AND USES THEREOF BOSTIK SA (FR) 2023-02-09 US disclosed
US-5559230-A VASOPRESSIN ANTAGONISTS, QUINOLINES, BENZAZEPINES, VASODILATION, HYPOTENSIVE AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-09-24 US disclosed
EP-0450097-B1 BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMA CO LTD (JP) 1996-04-24 EP disclosed
WO-1995034540-A1 BENZOHETEROCYCLIC DERIVATIVES USEFUL AS VASOPRESSIN OR OXYTOCIN MODULATORS OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-12-21 WO disclosed
EP-0602209-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-22 EP disclosed
WO-1994001113-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-01-20 WO disclosed
EP-0450097-A1 BENZOHETEROCYCLIC COMPOUNDS. OTSUKA PHARMA CO LTD (JP) 1991-10-09 EP disclosed
WO-1991005549-A1 BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-05-02 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-20130237681-A1 AMINES HAVING SECONDARY ALIPHATIC AMINO GROUPS AAAS, PNMT, PARG KCNA3 3502/4885ALOX15 1371/4885NPC1 4585/4885

“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.