SCHEMBL3880771

SCHEMBL3880771

CCCCCCCCCCOC(=O)[C@H](C)N

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.55
EPHX1 P07099 1/20 0.52
TSHR P16473 3/20 0.50
HTR2C P28335 1/20 0.49
HCAR2 Q8TDS4 1/20 0.47
RAD52 P43351 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ALDH1A1 P00352 2/20 0.46
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
FAAH O00519 1/20 0.46
LMNA P02545 1/20 0.46
ACHE P22303 5/20 0.46

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
SCHEMBL5271653 1.00 NAAA (0.55) NAAAEPHX1TSHRHTR2CHCAR2
SCHEMBL18378763 1.00 NAAA (0.55) NAAAEPHX1TSHRHTR2CHCAR2
SCHEMBL10347198 1.00 NAAA (0.55) NAAAEPHX1TSHRHTR2CHCAR2
SCHEMBL13797804 1.00 NAAA (0.55) NAAAEPHX1TSHRHTR2CHCAR2
SCHEMBL15796773 1.00 NAAA (0.55) NAAAEPHX1TSHRHTR2CHCAR2
SCHEMBL5271657 1.00 NAAA (0.55) NAAAEPHX1TSHRHTR2CHCAR2
SCHEMBL4679055 1.00 NAAA (0.55) NAAAEPHX1TSHRHTR2CHCAR2
SCHEMBL4206354 1.00 NAAA (0.55) NAAAEPHX1TSHRHTR2CHCAR2
SCHEMBL18378981 1.00 NAAA (0.55) NAAAEPHX1TSHRHTR2CHCAR2
SCHEMBL214490 1.00 NAAA (0.55) NAAAEPHX1TSHRHTR2CHCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230151049-A1 Compounds Useful in HIV Therapy VIIV HEALTHCARE COMPANY (US) 2023-05-18 US disclosed
US-20230151049-A1 Compounds Useful in HIV Therapy VIIV HEALTHCARE COMPANY (US) 2023-05-18 US disclosed
EP-4126888-A1 COMPOUNDS USEFUL IN HIV THERAPY VIIV Healthcare Company (US) 2023-02-08 EP disclosed
EP-2472255-B1 SEPARATING AGENT FOR OPTICAL ISOMER DAICEL CORP (JP) 2016-05-25 EP disclosed
EP-2708524-B1 Polyisocyanide derivative having controlled helical main chain structure JAPAN SCIENCE & TECH AGENCY (JP) 2015-04-08 EP disclosed
CN-102667466-B Separating agent for optical isomer DAICEL CHEM 2014-09-10 CN disclosed
EP-2708524-A1 Polyisocyanide derivative having controlled helical main chain structure Japan Science and Technology Agency (JP) 2014-03-19 EP disclosed
EP-1956035-B1 POLYISOCYANIDE DERIVATIVE HAVING CONTROLLED HELICAL MAIN CHAIN STRUCTURE JAPAN SCIENCE & TECH AGENCY (JP) 2014-01-22 EP disclosed
CN-102667466-A Separating agent for optical isomer DAICEL CHEM 2012-09-12 CN disclosed
EP-2472255-A1 SEPARATING AGENT FOR OPTICAL ISOMER Daicel Corporation (JP) 2012-07-04 EP disclosed
US-20120149851-A1 SEPARATING AGENT FOR OPTICAL ISOMERS NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2012-06-14 US disclosed
US-7619109-B2 Polyisocyanide derivative having controlled helical main chain structure JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2009-11-17 US disclosed
US-7619109-B2 Polyisocyanide derivative having controlled helical main chain structure JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2009-11-17 US disclosed
US-20090030227-A1 Polyisocyanide Derivative Having Controlled Helical Main Chain Structure JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2009-01-29 US disclosed
US-20090030227-A1 Polyisocyanide Derivative Having Controlled Helical Main Chain Structure JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2009-01-29 US disclosed
EP-1956035-A1 POLYISOCYANIDE DERIVATIVE HAVING CONTROLLED HELICAL MAIN CHAIN STRUCTURE Japan Science and Technology Agency (JP) 2008-08-13 EP 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-20090030227-A1 Polyisocyanide Derivative Having Controlled Helical Main Chain Structure PARG, PAH, PARN NAAA 2576/4885EPHX1 3108/4885TSHR 4748/4885
US-20230151049-A1 Compounds Useful in HIV Therapy CCR5, CD4, NPC1 NAAA 2562/4885EPHX1 1532/4885TSHR 4863/4885

“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.