SCHEMBL3252202

SCHEMBL3252202

CCc1cnc(C)c(C)c1CC

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.41
NOS2 P35228 2/20 0.41
NOS1 P29475 1/20 0.41
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 1/20 0.39
LMNA P02545 2/20 0.36
PDXK O00764 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
AOX1 Q06278 1/20 0.35
DHFR P00374 1/20 0.35
TRIM24 O15164 1/20 0.34
TRIM33 Q9UPN9 1/20 0.34
KDM5B Q9UGL1 1/20 0.33

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
SCHEMBL13176938 0.85 KDM4E (0.58) NOS3NOS2NOS1KDM4EALDH1A1
SCHEMBL20118855 0.82 KDM4E (0.34) NOS3NOS2NOS1KDM4EALDH1A1
SCHEMBL17545521 0.81 NOS3 (0.43) NOS3NOS2NOS1KDM4EALDH1A1
SCHEMBL12319209 0.79 NOS3 (0.38) NOS3NOS2NOS1KDM4EALDH1A1
SCHEMBL13498731 0.78 KDM4E (0.60) NOS3NOS2NOS1KDM4EALDH1A1
SCHEMBL21279618 0.76 KDM4E (0.38) NOS3NOS2KDM4EALDH1A1HPGD
SCHEMBL28177564 0.72 NOS3 (0.38) NOS3NOS2NOS1KDM4EALDH1A1
SCHEMBL3802342 0.72 HPGD (0.53) NOS3NOS2NOS1KDM4EALDH1A1
SCHEMBL3793200 0.72 ALDH1A1 (0.36) NOS3NOS2NOS1KDM4EALDH1A1
SCHEMBL16418384 0.71 KDM4E (0.52) NOS3NOS2NOS1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2964224-B1 POLYMER CONJUGATE FOR DELIVERY OF A BIOACTIVE AGENT POLYACTIVA PTY LTD (AU) 2024-07-03 EP disclosed
WO-2021051149-A1 BIODEGRADABLE DRUG-POLYMER CONJUGATE POLYACTIVA PTY LTD (AU) 2021-03-25 WO disclosed
EP-2863921-B1 POLYMER-NSAID CONJUGATE POLYACTIVA PTY LTD (AU) 2018-04-18 EP disclosed
WO-2018050938-A1 PRE-LOADED INJECTABLE DEVICE FOR TREATING CEREBRAL EDEMA SERVICIO ANDALUZ DE SALUD (ES) 2018-03-22 WO disclosed
US-20170312363-A1 MULTIFUNCTIONALIZED POLYETHYLENE GLYCOL DERIVATIVE AND PREPARATION METHOD THEREFOR XIAMEN SINOPEG BIOTECH CO., LTD. (CN) 2017-11-02 US disclosed
US-20170216308-A1 POLYMER CONJUGATE FOR DELIVERY OF A BIOACTIVE AGENT POLYACTIVA PTY LTD (AU) 2017-08-03 US disclosed
US-9572892-B2 Polymer conjugate for delivery of a bioactive agent POLYACTIVA PTY LTD (AU) 2017-02-21 US disclosed
EP-1438352-B1 LOW COLOR, LOW SODIUM BENZOXAZINONE UV ABSORBERS AND PROCESS FOR MAKING SAME CYTEC TECH CORP (US) 2010-05-26 EP disclosed
EP-1438352-A1 LOW COLOR, LOW SODIUM BENZOXAZINONE UV ABSORBERS AND PROCESS FOR MAKING SAME Cytec Technology Corp. (US) 2004-07-21 EP disclosed
WO-2003035735-A1 LOW COLOR, LOW SODIUM BENZOXAZINONE UV ABSORBERS AND PROCESS FOR MAKING SAME CYTEC TECHNOLOGY CORP. (US) 2003-05-01 WO disclosed
US-4095992-A Coatings containing starch esters THE SHERWIN-WILLIAMS COMPANY (US) 1978-06-20 US disclosed
US-4061610-A Coating compositions containing starch half-esters and process for preparing same THE SHERWIN-WILLIAMS COMPANY (US) 1977-12-06 US disclosed
US-4011392-A COATINGS THE SHERWIN-WILLIAMS COMPANY (US) 1977-03-08 US disclosed
US-3989698-A ACYLATION, TERTIARY AMINE CATALYST, ISATOIC ANHYDRIDE THE SHERWIN-WILLIAMS COMPANY (US) 1976-11-02 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-20170216308-A1 POLYMER CONJUGATE FOR DELIVERY OF A BIOACTIVE AGENT PTGIS, PTGIR, PGF NOS3 149/4885NOS2 229/4885NOS1 307/4885
US-20170312363-A1 MULTIFUNCTIONALIZED POLYETHYLENE GLYCOL DERIVATIVE AND PREPARATION METHOD THEREFOR HDGF, F11, F12 NOS3 3552/4885NOS2 2483/4885NOS1 1726/4885

“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.