SCHEMBL3486287

SCHEMBL3486287

CCCCCCCCCCCCCCCC(=O)C(O)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](NC(=O)CCN)[C@@]1(O)C(=O)CCCCCCCCCCCCCCC

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ENTPD2 Q9Y5L3 2/20 0.35
P2RY12 Q9H244 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
SCHEMBL3486574 0.83 KMT2A (0.38) ENTPD2
SCHEMBL3486581 0.76 P2RY12 (0.32) P2RY12
SCHEMBL9069548 0.76 P2RY12 (0.36) P2RY12
SCHEMBL6223334 0.73 P2RY12 (0.34) P2RY12
SCHEMBL10458515 0.72 LMNA (0.43)
SCHEMBL9069521 0.72 P2RY2 (0.35) ENTPD2P2RY12
SCHEMBL11482636 0.68 SLC28A1 (0.40) ENTPD2
SCHEMBL7677678 0.66 SLC28A1 (0.40) ENTPD2
SCHEMBL11483176 0.66 SLC28A1 (0.40) ENTPD2
SCHEMBL25433501 0.66 SLC28A1 (0.58) ENTPD2P2RY12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030073640-A1 Novel compositions for the delivery of negatively charged molecules RIBOZYME PHARMACEUTICALS, INC. 2003-04-17 US claimed
US-10131590-B2 Ethylene tetramerization catalyst system and method for preparing 1-octene using the same SK INNOVATION CO., LTD. (KR) 2018-11-20 US disclosed
US-20180016206-A1 ETHYLENE TETRAMERIZATION CATALYST SYSTEM AND METHOD FOR PREPARING 1-OCTENE USING THE SAME SK INNOVATION CO., LTD. (KR) 2018-01-18 US disclosed
US-9802874-B2 Ethylene tetramerization catalyst systems and method for preparing 1-octene using the same SK INNOVATION CO., LTD. (KR) 2017-10-31 US disclosed
US-20140081064-A1 ETHYLENE TETRAMERIZATION CATALYST SYSTEMS AND METHOD FOR PREPARING 1-OCTENE USING THE SAME SK INNOVATION CO., LTD. & SK GLOBAL CHEMICAL CO. LTD. (KR) 2014-03-20 US disclosed
US-8609924-B2 Ethylene tetramerization catalyst systems and method for preparing 1-octene using the same SK INNOVATION CO., LTD. (KR) 2013-12-17 US disclosed
US-20100137669-A1 ETHYLENE TETRAMERIZATION CATALYST SYSTEMS AND METHOD FOR PREPARING 1-OCTENE USING THE SAME SK INNOVATION CO., LTD. (KR) 2010-06-03 US disclosed
US-20100036115-A1 Novel Compositions for the Delivery of Negatively Charged Molecules SIRNA THERAPEUTICS, INC. (US) 2010-02-11 US disclosed
US-7553830-B2 Compositions for the delivery of negatively charged molecules SIRNA THERAPEUTICS, INC. (US) 2009-06-30 US disclosed
EP-1724254-A2 Novel compositions for the delivery of negatively charged molecules Sirna Therapeutics, Inc. (US) 2006-11-22 EP disclosed
US-20050234232-A1 Novel compositions for the delivery of negatively charged molecules SIRNA THERAPEUTICS, INC. 2005-10-20 US disclosed
US-20030073640-A1 Novel compositions for the delivery of negatively charged molecules RIBOZYME PHARMACEUTICALS, INC. 2003-04-17 US disclosed
US-6395713-B1 CATIONIC LIPIDCATIONIC LIPID RIBOZYME PHARMACEUTICALS, INC. 2002-05-28 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 (7 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-20100137669-A1 ETHYLENE TETRAMERIZATION CATALYST SYSTEMS AND METHOD FOR PREPARING 1-OCTENE USING THE SAME TCP1, CTR9, CTRC ENTPD2 2555/4885P2RY12 2304/4885
US-20100036115-A1 Novel Compositions for the Delivery of Negatively Charged Molecules PHAX, TARBP1, SNRPE ENTPD2 553/4885P2RY12 3713/4885
US-10131590-B2 Ethylene tetramerization catalyst system and method for preparing 1-octene using the same TCP1, CTRC, CTR9 ENTPD2 2574/4885P2RY12 2168/4885
US-20180016206-A1 ETHYLENE TETRAMERIZATION CATALYST SYSTEM AND METHOD FOR PREPARING 1-OCTENE USING THE SAME TCP1, CTRC, CTR9 ENTPD2 2574/4885P2RY12 2168/4885
US-20050234232-A1 Novel compositions for the delivery of negatively charged molecules PHAX, TARBP1, SNRPE ENTPD2 553/4885P2RY12 3713/4885
US-20140081064-A1 ETHYLENE TETRAMERIZATION CATALYST SYSTEMS AND METHOD FOR PREPARING 1-OCTENE USING THE SAME TCP1, CTR9, CTRC ENTPD2 2555/4885P2RY12 2304/4885
US-20030073640-A1 Novel compositions for the delivery of negatively charged molecules PHAX, TARBP1, SNRPE ENTPD2 553/4885P2RY12 3713/4885

“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.