SCHEMBL4083624

SCHEMBL4083624

CCCCCCOC(=O)CCO

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.67
DGKA P23743 1/20 0.67
HTR2C P28335 1/20 0.62
FAAH O00519 2/20 0.59
RAD52 P43351 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
PRSS1 P07477 1/20 0.56
PRSS2 P07478 1/20 0.56
PRSS3 P35030 1/20 0.56
DNM1 Q05193 1/20 0.55
EPHX1 P07099 1/20 0.52
MGLL Q99685 1/20 0.51
TSHR P16473 2/20 0.50
PAM P19021 2/20 0.50

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
SCHEMBL28264985 1.00 NAAA (0.67) NAAADGKAHTR2CFAAHRAD52
SCHEMBL27875882 1.00 NAAA (0.67) NAAADGKAHTR2CFAAHRAD52
SCHEMBL27289034 1.00 NAAA (0.67) NAAADGKAHTR2CFAAHRAD52
SCHEMBL27563351 1.00 NAAA (0.67) NAAADGKAHTR2CFAAHRAD52
SCHEMBL8864049 1.00 NAAA (0.67) NAAADGKAHTR2CFAAHRAD52
SCHEMBL27500017 1.00 NAAA (0.67) NAAADGKAHTR2CFAAHRAD52
SCHEMBL27913957 1.00 NAAA (0.67) NAAADGKAHTR2CFAAHRAD52
SCHEMBL27468688 1.00 NAAA (0.67) NAAADGKAHTR2CFAAHRAD52
SCHEMBL96191 0.98 NAAA (0.63) NAAADGKAHTR2CFAAHRAD52
SCHEMBL446637 0.91 DGKA (0.59) NAAADGKAHTR2CFAAHRAD52

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116693824-A Beta-hydroxy fatty acid ester polymer and method for preparing beta-hydroxy fatty acid ester polymer by transesterification polycondensation method 中国科学院成都有机化学有限公司 2023-09-05 CN disclosed
US-20180327345-A1 PRODUCTION OF ESTERS OF 3-HYDROXYPROPIONIC ACID AND ACRYLIC ACID BASF SE (DE) 2018-11-15 US disclosed
US-7482339-B2 2-Naphthylimino-1,3-thiazine derivative SHIONOGI AND CO., LTD. (JP) 2009-01-27 US disclosed
US-20060281738-A1 2-Naphthylimino-1,3-thiazine derivative SHIONOGI AND CO., LTD. (JP) 2006-12-14 US disclosed
EP-1659117-A1 2-NAPHTHYLIMINO-1,3-THIAZINE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2006-05-24 EP disclosed
EP-0985671-B1 PYRIDOCARBAZOLE DERIVATIVES HAVING cGMP-PDE INHIBITORY EFFECT MOCHIDA PHARM CO LTD (JP) 2003-04-02 EP disclosed
US-6476021-B1 Compounds having cGMP-PDE inhibitory effect MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2002-11-05 US disclosed
CN-1092211-C Method for preparing plastic lens containing high-refractivity resin MITSUI CHEMICALS INC (JP) 2002-10-09 CN disclosed
WO-2002000622-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-03 WO disclosed
CN-1069331-C Process for producing finished product of plastic lens MITSUI CHEMICALS INC (JP) 2001-08-08 CN disclosed
US-6197768-B1 THERAPY, PREVENTION ISCHEMIC HEART DISEASE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2001-03-06 US disclosed
EP-1048666-A1 NOVEL COMPOUNDS HAVING cGMP-PDE INHIBITORY EFFECT MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-11-02 EP disclosed
EP-0992240-A1 THERAPEUTIC AGENT FOR ERECTION FAILURE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-04-12 EP disclosed
EP-0985671-A1 PYRIDOCARBAZOLE DERIVATIVES HAVING cGMP-PDE INHIBITORY EFFECT MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-03-15 EP disclosed
US-6018046-A SELECTIVE ACTION IN INHIBITING CYCLIC GMP-PHOSPHODIESTERASE (CGMP-PDE); PHARMACEUTICALS FOR TREATING DISEASES AGAINST WHICH THE INHIBITORY ACTION IS EFFECTIVE, SUCH AS PULMONARY HYPERTENSION MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-01-25 US disclosed
CN-1036463-C Aprocess for preparing a resin having a large refractive index MITSUI TOATSU CHEMICALS, INC. (JP) 1997-11-19 CN disclosed
CN-1149066-A Process for producing finished product of plastic lens MITSUI TOATSU CHEMICALS (JP) 1997-05-07 CN disclosed
CN-1098723-A Preparation has the method for high refractive index resins MITSUI TOATSU CHEMICALS (JP) 1995-02-15 CN disclosed
CN-1039429-A Resin having high refractive index, lens comprising the resin, and method for producing the lens MITSUI TOATSU CHEMICALS (JP) 1990-02-07 CN 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-20060281738-A1 2-Naphthylimino-1,3-thiazine derivative NPM1, OXTR, CYP2S1 NAAA 4355/4885DGKA 4877/4885HTR2C 304/4885
US-20180327345-A1 PRODUCTION OF ESTERS OF 3-HYDROXYPROPIONIC ACID AND ACRYLIC ACID MLX, ADH1A, AGXT NAAA 161/4885DGKA 4452/4885HTR2C 4008/4885

“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.