SCHEMBL538907

SCHEMBL538907

CCCCC(C)C(=O)Oc1ccco1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
CA2 P00918 1/20 0.40
CYP3A4 P08684 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
MMP1 P03956 1/20 0.38
MMP9 P14780 1/20 0.38
MMP12 P39900 1/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
HDAC3 O15379 1/20 0.38
MAPT P10636 3/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 3/20 0.36
MAPK1 P28482 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36

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
SCHEMBL28403676 0.91 MMP1 (0.40) ALDH1A1KMT2AMEN1MMP1MMP9
SCHEMBL8633653 0.84 MMP1 (0.42) ALDH1A1KMT2AMMP1MMP9MMP12
SCHEMBL4223881 0.80 MMP1 (0.41) ALDH1A1KMT2AMEN1MMP1MMP9
SCHEMBL15547130 0.76 CYP3A4 (0.49) ALDH1A1CA2CYP3A4KMT2AMEN1
SCHEMBL14989478 0.75 MEN1 (0.49) ALDH1A1KMT2AMEN1MMP1MMP9
SCHEMBL1537155 0.75 CA2 (0.48) ALDH1A1CA2CYP3A4LMNAPRSS1
SCHEMBL5656608 0.74 MMP1 (0.44) ALDH1A1KMT2AMEN1MMP1MMP9
SCHEMBL5041398 0.74 MMP1 (0.44) ALDH1A1KMT2AMEN1MMP1MMP9
SCHEMBL17138134 0.74 L3MBTL1 (0.46) ALDH1A1CA2CYP3A4KMT2AMEN1
SCHEMBL15670665 0.73 ALDH1A1 (0.41) ALDH1A1KMT2AMMP1MMP9MMP12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060292188-A1 Ophthalmic solution with a flavoring agent BAUSCH & LOMB INCORPORATED 2006-12-28 US claimed
WO-2006132870-A1 OPHTHALMIC SOLUTION WITH A FLAVORING AGENT BAUSCH & LOMB INCORPORATED (US) 2006-12-14 WO claimed
US-9701177-B2 Ceramic coated automotive heat exchanger components HENKEL AG & CO. KGAA (DE) 2017-07-11 US disclosed
US-20130137625-A1 Photo-Responsive Microencapsulation Materials, Compositions and Methods of Use Thereof SOLARBRE, INC. (US) 2013-05-30 US disclosed
US-8246869-B2 Photo-responsive microencapsulation materials, compositions and methods of use thereof SOLARBRE, INC. (US) 2012-08-21 US disclosed
EP-2414764-A2 CERAMIC COATED AUTOMOTIVE HEAT EXCHANGER COMPONENTS Henkel AG & Co. KGaA (DE) 2012-02-08 EP disclosed
US-20100252241-A1 CERAMIC COATED AUTOMOTIVE HEAT EXCHANGER COMPONENTS HENKEL AG & CO. KGAA (DE) 2010-10-07 US disclosed
WO-2010114988-A2 CERAMIC COATED AUTOMOTIVE HEAT EXCHANGER COMPONENTS HENKEL AG & CO. KGAA (DE) 2010-10-07 WO disclosed
US-20090202652-A1 Photo-Responsive Microencapsulation Materials, Compositions and Methods of Use Thereof SOLARBRE, INC. (US) 2009-08-13 US disclosed
EP-1945344-A2 PHOTO-RESPONSIVE MICROENCAPSULATION MATERIALS, COMPOSITIONS AND METHODS OF USE THEREOF Solarbre, Inc. (US) 2008-07-23 EP disclosed
WO-2007051198-A2 PHOTO-RESPONSIVE MICROENCAPSULATION MATERIALS, COMPOSITIONS AND METHODS OF USE THEREOF SOLARBRE, INC (US) 2007-05-03 WO disclosed
US-20070014992-A1 Scented multilayer films and method of making LONGMOORE KENNETH J 2007-01-18 US disclosed
US-20070014993-A1 Scented multilayer films and method of making APPLIED EXTRUSION TECHNOLOGIES, INC. 2007-01-18 US disclosed
US-20060292188-A1 Ophthalmic solution with a flavoring agent BAUSCH & LOMB INCORPORATED 2006-12-28 US disclosed
US-20060292189-A1 Ophthalmic solution with a flavoring agent as a dosing indicator and method for indicating dosage of an ophthalmic solution BAUSCH & LOMB INCORPORATED 2006-12-28 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 (4 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-20090202652-A1 Photo-Responsive Microencapsulation Materials, Compositions and Methods of Use Thereof LIPA, LIPE, CRYAA ALDH1A1 3388/4885CA2 3940/4885CYP3A4 3144/4885
US-20060292188-A1 Ophthalmic solution with a flavoring agent TAS2R60, TAS2R10, TAS2R40 ALDH1A1 1468/4885CA2 1540/4885CYP3A4 4129/4885
US-20060292189-A1 Ophthalmic solution with a flavoring agent as a dosing indicator and method for indicating dosage of an ophthalmic solution TAS2R7, TAS2R40, TAS2R42 ALDH1A1 364/4885CA2 854/4885CYP3A4 2765/4885
US-20130137625-A1 Photo-Responsive Microencapsulation Materials, Compositions and Methods of Use Thereof LIPA, LIPE, CRYAA ALDH1A1 3388/4885CA2 3940/4885CYP3A4 3144/4885

“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.