SCHEMBL4886826

SCHEMBL4886826

CCCCCCC(C(=O)OCC)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
GAA P10253 1/20 0.47
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
AMPD2 Q01433 1/20 0.46
ALDH1A1 P00352 2/20 0.46
ASAH1 Q13510 1/20 0.46
ACER2 Q5QJU3 1/20 0.46
NAAA Q02083 2/20 0.46
POLB P06746 1/20 0.46
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.44
PIN1 Q13526 1/20 0.44

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
SCHEMBL8818975 1.00 MMP8 (0.48) MMP8SMN1; SMN2NPC1RAB9AGAA
SCHEMBL28066882 1.00 MMP8 (0.48) MMP8SMN1; SMN2NPC1RAB9AGAA
SCHEMBL15124223 0.98 MMP8 (0.47) MMP8SMN1; SMN2NPC1RAB9AGAA
SCHEMBL11321868 0.98 MMP8 (0.47) MMP8SMN1; SMN2NPC1RAB9AGAA
SCHEMBL21357881 0.98 MMP8 (0.47) MMP8SMN1; SMN2NPC1RAB9AGAA
SCHEMBL9000765 0.98 MMP8 (0.49) MMP8SMN1; SMN2NPC1RAB9AGAA
SCHEMBL4206097 0.94 MMP8 (0.50) MMP8SMN1; SMN2NPC1GAATDP1
SCHEMBL11296489 0.89 NPC1 (0.56) SMN1; SMN2NPC1RAB9AALDH1A1POLB
SCHEMBL3929627 0.89 NPC1 (0.56) SMN1; SMN2NPC1RAB9AALDH1A1POLB
SCHEMBL27478078 0.89 NPC1 (0.52) SMN1; SMN2NPC1RAB9ATDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080242544-A1 Phytoactive Composition MICAP PLC (GB) 2008-10-02 US disclosed
US-20080140036-A1 Antimicrobial Composition MICAP PLC (GB) 2008-06-12 US disclosed
US-20070269473-A1 Microbial Encapsulation MICAP PLC (GB) 2007-11-22 US disclosed
EP-1753289-A1 ANTIMICROBIAL COMPOSITION MICAP PLC. (GB) 2007-02-21 EP disclosed
EP-1750504-A1 PHYTOACTIVE COMPOSITION MICAP PLC. (GB) 2007-02-14 EP disclosed
EP-1742728-A1 MICROBIAL ENCAPSULATION MICAP PLC. (GB) 2007-01-17 EP disclosed
EP-1482806-B1 TRANSESTERIFICATION REACTION FOR PRODUCTION OF DAIRY FLAVOUR ENHANCING ESTERS FONTERRA CO OPERATIVE GROUP (NZ) 2006-10-04 EP disclosed
WO-2005104842-A1 ANTIMICROBIAL COMPOSITION MICAP PLC (GB) 2005-11-10 WO disclosed
WO-2005102508-A1 MICROBIAL ENCAPSULATION MICAP PLC (GB) 2005-11-03 WO disclosed
WO-2005102045-A1 PHYTOACTIVE COMPOSITION MICAP PLC (GB) 2005-11-03 WO disclosed
US-20050130279-A1 Transesterification reaction for production of dairy flavour enhancing esters NEW ZEALAND DAIRY BOARD (NZ) 2005-06-16 US disclosed
US-6844302-B1 Encapsulated flavor and fragrance INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2005-01-18 US disclosed
EP-1482806-A1 TRANSESTERIFICATION REACTION FOR PRODUCTION OF DAIRY FLAVOUR ENHANCING ESTERS Fonterra Co-Operative Group Limited (NZ) 2004-12-08 EP disclosed
WO-2003070010-A1 TRANSESTERIFICATION REACTION FOR PRODUCTION OF DAIRY FLAVOUR ENHANCING ESTERS FONTERRA CO-OPERATIVE GROUP LIMITED (NZ) 2003-08-28 WO disclosed
US-5571925-A HORMONES INHIBITORS FOR HYPOTENSIVE AGENTS ELI LILLY AND COMPANY (US) 1996-11-05 US disclosed
US-5563278-A Angiotensin II antagonists ELI LILLY AND COMPANY (US) 1996-10-08 US disclosed
EP-0438869-B1 Improvements in and relating to angiotensin II antagonists LILLY CO ELI (US) 1994-12-14 EP disclosed
US-5312936-A Hypotensive agents ELI LILLY AND COMPANY (US) 1994-05-17 US disclosed
US-5073566-A Hypotensive agents ELI LILLY AND COMPANY (US) 1991-12-17 US disclosed
EP-0438869-A1 Improvements in and relating to angiotensin II antagonists ELI LILLY AND COMPANY (US) 1991-07-31 EP 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-20080242544-A1 Phytoactive Composition PNMT, ACHE, TACR1 MMP8 2707/4885SMN1; SMN2 4116/4885NPC1 1181/4885

“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.