SCHEMBL16769239

SCHEMBL16769239

Cc1ncc(CC(C)C)c(CC(C)C)c1C(C)C

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
P2RX3 P56373 1/20 0.33
P2RX2 Q9UBL9 1/20 0.33
LMNA P02545 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
KDM5A P29375 1/20 0.30

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
SCHEMBL20143332 0.78 KDM4E (0.55) KDM4EALDH1A1HPGDHSD17B10P2RX3
SCHEMBL20118855 0.74 KDM4E (0.34) KDM4EALDH1A1HPGDHSD17B10P2RX3
SCHEMBL16769243 0.74 KDM4E (0.42) KDM4EALDH1A1HPGDHSD17B10P2RX3
SCHEMBL19413644 0.72 GABRA1 (0.34) KDM4EALDH1A1HPGDHSD17B10P2RX3
SCHEMBL14015230 0.71 KDM4E (0.71) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL14752379 0.68 KDM4E (0.71) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL17229270 0.67 KDM5A (0.32) KDM5A
SCHEMBL12433035 0.67 NOS3 (0.36) P2RX3P2RX2GABRA1GABRB2
SCHEMBL13167669 0.67 LMNA (0.43) KDM4EALDH1A1HPGDHSD17B10P2RX3
SCHEMBL23054799 0.66 MAPT (0.35) KDM4EALDH1A1HPGDHSD17B10P2RX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11787906-B2 Biodegradable drug-polymer conjugate POLYACTIVA PTY LTD (AU) 2023-10-17 US disclosed
US-20220401455-A1 BIODEGRADABLE DRUG-POLYMER CONJUGATE POLYACTIVA PTY LTD (AU) 2022-12-22 US disclosed
US-20180214561-A1 EIGHT-ARM POLYETHYLENE GLYCOL DERIVATIVE, PRODUCTION METHOD THEREFOR, AND MODIFIEDBIO-RELATEDSUBSTANCETHEREOF XIAMEN SINOPEG BIOTECH CO., LTD. (CN) 2018-08-02 US disclosed
US-9968684-B2 Polymer-NSAID conjugate POLYACTIVA PTY LTD (AU) 2018-05-15 US disclosed
US-9968684-B2 Polymer-NSAID conjugate POLYACTIVA PTY LTD (AU) 2018-05-15 US 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-20170182173-A1 POLYMER CONJUGATE FOR DELIVERY OF A BIOACTIVE AGENT POLYACTIVA PTY LTD (AU) 2017-06-29 US disclosed
US-9572892-B2 Polymer conjugate for delivery of a bioactive agent POLYACTIVA PTY LTD (AU) 2017-02-21 US disclosed
US-20160000929-A1 POLYMER CONJUGATE FOR DELIVERY OF A BIOACTIVE AGENT POLYACTIVA PTY LTD (AU) 2016-01-07 US disclosed
US-20150150999-A1 POLYMER-NSAID CONJUGATE POLYACTIVA PTY LTD (AU) 2015-06-04 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 (8 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-20150150999-A1 POLYMER-NSAID CONJUGATE PTGS1, PTGES3, PTGES KDM4E 3166/4885ALDH1A1 216/4885HPGD 36/4885
US-20180214561-A1 EIGHT-ARM POLYETHYLENE GLYCOL DERIVATIVE, PRODUCTION METHOD THEREFOR, AND MODIFIEDBIO-RELATEDSUBSTANCETHEREOF MRPL38, CXCL8, ALG8 KDM4E 2604/4885ALDH1A1 1061/4885HPGD 3535/4885
US-20220401455-A1 BIODEGRADABLE DRUG-POLYMER CONJUGATE PTGER1, PTGDR, F12 KDM4E 2195/4885ALDH1A1 688/4885HPGD 422/4885
US-20160000929-A1 POLYMER CONJUGATE FOR DELIVERY OF A BIOACTIVE AGENT PTGIS, PTGIR, PGF KDM4E 4458/4885ALDH1A1 1399/4885HPGD 55/4885
US-20170216308-A1 POLYMER CONJUGATE FOR DELIVERY OF A BIOACTIVE AGENT PTGIS, PTGIR, PGF KDM4E 4260/4885ALDH1A1 1738/4885HPGD 77/4885
US-20170182173-A1 POLYMER CONJUGATE FOR DELIVERY OF A BIOACTIVE AGENT PTGIS, PTGIR, PGF KDM4E 3979/4885ALDH1A1 1479/4885HPGD 40/4885
US-11787906-B2 Biodegradable drug-polymer conjugate ADRB3, PTGER3, CHRM3 KDM4E 1912/4885ALDH1A1 907/4885HPGD 911/4885
US-20170312363-A1 MULTIFUNCTIONALIZED POLYETHYLENE GLYCOL DERIVATIVE AND PREPARATION METHOD THEREFOR HDGF, F11, F12 KDM4E 4115/4885ALDH1A1 1582/4885HPGD 549/4885

“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.