SCHEMBL537689

SCHEMBL537689

CC(O)c1ccc(C(=O)C(C)(C)O)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 1/20 0.38
MLYCD O95822 4/20 0.37
ALDH1A1 P00352 3/20 0.37
CYP2C9 P11712 2/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
CYP2D6 P10635 1/20 0.36
HIF1A Q16665 1/20 0.36
CA2 P00918 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
UGT2B7 P16662 1/20 0.34
USP5 P45974 1/20 0.34
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
ELANE P08246 1/20 0.34

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
SCHEMBL3671849 0.86 CA2 (0.37) MLYCDALDH1A1CYP2C9CYP2D6HIF1A
SCHEMBL4197514 0.86 ESR1 (0.43) MLYCDALDH1A1CYP2C9CYP2D6HIF1A
SCHEMBL480335 0.86 ELANE (0.47) MLYCDALDH1A1CYP2C9CYP2D6HIF1A
SCHEMBL54909 0.86 CYP2C9 (0.50) ALDH1A1CYP2C9CYP2D6HIF1AUSP5
SCHEMBL3667690 0.85 HDAC1 (0.37) MLYCDALDH1A1CYP2C9CYP2D6HIF1A
SCHEMBL11298330 0.82 CA2 (0.46) MLYCDALDH1A1CA2HDAC1TSHR
SCHEMBL13457935 0.82 HDAC1 (0.38) MLYCDALDH1A1CYP2C9CYP2D6HIF1A
SCHEMBL29061558 0.82 ALDH1A1 (0.36) MLYCDALDH1A1CYP2C9CYP2D6HIF1A
SCHEMBL10942936 0.81 CYP2C9 (0.46) ALDH1A1CYP2C9CYP2D6HIF1AUSP5
SCHEMBL8957565 0.81 KIF11 (0.46) PTPN5ALDH1A1CYP2C9CYP2D6HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2766750-B1 METHOD FOR MAKING UV-ABSORBING OPHTHALMIC LENSES BY COATING NOVARTIS AG (CH) 2016-02-03 EP disclosed
US-9005700-B2 Method for making UV-absorbing ophthalmic lenses NOVARTIS AG (CH) 2015-04-14 US disclosed
EP-2766750-A1 METHOD FOR MAKING UV-ABSORBING OPHTHALMIC LENSES BY COATING Novartis AG (CH) 2014-08-20 EP disclosed
US-8703875-B2 Polymers NOVARTIS AG (CH) 2014-04-22 US disclosed
US-8647699-B2 Method for coating silicone hydrogels NOVARTIS AG (CH) 2014-02-11 US disclosed
US-8609745-B2 Production of ophthalmic devices based on photo-induced step growth polymerization NOVARTIS AG (CH) 2013-12-17 US disclosed
US-20130172600-A1 Novel Polymers NOVARTIS AG (CH) 2013-07-04 US disclosed
US-20130106007-A1 PRODUCTION OF OPHTHALMIC DEVICES BASED ON PHOTO-INDUCED STEP GROWTH POLYMERIZATION NOVARTIS AG (CH) 2013-05-02 US disclosed
US-20130095235-A1 METHOD FOR MAKING UV-ABSORBING OPHTHALMIC LENSES NOVARTIS AG (CH) 2013-04-18 US disclosed
WO-2013055746-A1 METHOD FOR MAKING UV-ABSORBING OPHTHALMIC LENSES BY COATING NOVARTIS AG (CH) 2013-04-18 WO disclosed
US-20090186229-A1 Method for coating silicone hydrogels ALCON INC. (CH) 2009-07-23 US disclosed
EP-0953613-B1 Ink, ink-jet recording method using the same, and photopolymerization initiator CANON KK (JP) 2009-07-08 EP disclosed
EP-2038310-A2 ACTINICALLY CROSSLINKABLE COPOLYMERS FOR MANUFACTURING CONTACT LENSES Novartis AG (CH) 2009-03-25 EP disclosed
US-20090029413-A1 Process for the manufacture of a composite material ALCON INC. (CH) 2009-01-29 US disclosed
WO-2008107448-A2 PROCESS FOR THE MANUFACTURE OF A COMPOSITE MATERIAL NOVARTIS AG (CH) 2008-09-12 WO disclosed
WO-2008076729-A1 PRODUCTION OF OPHTHALMIC DEVICES BASED ON PHOTO-INDUCED STEP GROWTH POLYMERIZATION NOVARTIS AG (CH) 2008-06-26 WO disclosed
US-20080152800-A1 Process for the coating of biomedical articles ALCON INC. (CH) 2008-06-26 US disclosed
US-20080143958-A1 Production of ophthalmic devices based on photo-induced step growth polymerization ALCON INC. (CH) 2008-06-19 US disclosed
WO-2008008752-A2 ACTINICALLY CROSSLINKABLE COPOLYMERS FOR MANUFACTURING CONTACT LENSES NOVARTIS AG (CH) 2008-01-17 WO disclosed
US-20080015315-A1 Novel Polymers ALCON INC. (CH) 2008-01-17 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 (2 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-20130172600-A1 Novel Polymers PAM, MTHFD2, PCNA PTPN5 4413/4885MLYCD 1356/4885ALDH1A1 71/4885
US-20090029413-A1 Process for the manufacture of a composite material ECPAS, C1QBP, PLOD3 PTPN5 2827/4885MLYCD 4631/4885ALDH1A1 961/4885

“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.