SCHEMBL2021418

SCHEMBL2021418

CCCCCOC(=O)OCCCc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.60
TSHR P16473 4/20 0.56
CYP3A4 P08684 2/20 0.56
MAPK1 P28482 2/20 0.56
TP53 P04637 1/20 0.56
CTSK P43235 1/20 0.54
ALDH1A1 P00352 5/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
NPC1 O15118 1/20 0.54
RECQL P46063 1/20 0.54
RAB9A P51151 1/20 0.54
TDP1 Q9NUW8 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
KDM4E B2RXH2 1/20 0.49
CTDSP1 Q9GZU7 1/20 0.49
HPGD P15428 1/20 0.49
MAPT P10636 1/20 0.48
APOBEC3A P31941 1/20 0.48
APOBEC3G Q9HC16 1/20 0.48

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
SCHEMBL2015631 0.98 LMNA (0.58) LMNATSHRCYP3A4MAPK1TP53
SCHEMBL2026791 0.98 LMNA (0.58) LMNATSHRCYP3A4MAPK1TP53
SCHEMBL2019260 0.98 LMNA (0.58) LMNATSHRCYP3A4MAPK1TP53
SCHEMBL2019233 0.97 TSHR (0.56) LMNATSHRCYP3A4MAPK1TP53
SCHEMBL2023084 0.95 TSHR (0.57) LMNATSHRCYP3A4MAPK1TP53
SCHEMBL2026444 0.95 TSHR (0.57) LMNATSHRCYP3A4MAPK1TP53
SCHEMBL2019495 0.95 TSHR (0.57) LMNATSHRCYP3A4MAPK1TP53
SCHEMBL2018691 0.95 TSHR (0.57) LMNATSHRCYP3A4MAPK1TP53
SCHEMBL2019841 0.95 TSHR (0.57) LMNATSHRCYP3A4MAPK1TP53
SCHEMBL2018238 0.95 TSHR (0.57) LMNATSHRCYP3A4MAPK1TP53

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
EP-3838892-B1 METHOD FOR PRODUCING ISOCYANATE ASAHI CHEMICAL IND (JP) 2022-10-12 EP disclosed
EP-3293173-B1 METHOD FOR PRODUCING ISOCYANATE ASAHI CHEMICAL IND (JP) 2021-07-28 EP disclosed
EP-3838892-A1 METHOD FOR PRODUCING ISOCYANATE Asahi Kasei Kabushiki Kaisha (JP) 2021-06-23 EP disclosed
EP-2980066-B1 METHOD FOR PRODUCING ISOCYANATE ASAHI CHEMICAL IND (JP) 2021-04-21 EP disclosed
EP-3293173-A1 METHOD FOR PRODUCING ISOCYANATE Asahi Kasei Kabushiki Kaisha (JP) 2018-03-14 EP disclosed
US-9714215-B2 Method for producing isocyanate ASAHI KASEI CHEMICALS CORPORATION (JP) 2017-07-25 US disclosed
US-20160052874-A1 METHOD FOR PRODUCING ISOCYANATE ASAHI KASEI CHEMICALS CORPORATION (JP) 2016-02-25 US disclosed
EP-2980066-A1 METHOD FOR PRODUCING ISOCYANATE Asahi Kasei Chemicals Corporation (JP) 2016-02-03 EP disclosed
US-9145358-B2 N-substituted carbamic acid ester production method, isocyanate production method using such N-substituted carbamic acid ester, and composition for transfer and storage of N-substituted carbamic acid ester comprising N-substituted carbamic acid ester and aromatic hydroxy compound ASAHI KASEI CHEMICALS CORPORATION (JP) 2015-09-29 US disclosed
US-20140194644-A1 N-Substituted Carbamic Acid Ester Production Method, Isocyanate Production Method Using Such N-Substituted Carbamic Acid Ester, and Composition for Transfer and Storage of N-Substituted Carbamic Acid Ester Comprising N-Substituted Carbamic Acid Ester and Aromatic Hydroxy Compound ASAHI KASEI CHEMICALS CORPORATION (JP) 2014-07-10 US disclosed
US-20110160476-A1 N-Substituted Carbamic Acid Ester Production Method and Isocyanate Production Method Using the N-Substituted Carbamic Acid Ester ASAHI KASEI CHEMICALS CORPORATION (JP) 2011-06-30 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 (3 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-20110160476-A1 N-Substituted Carbamic Acid Ester Production Method and Isocyanate Production Method Using the N-Substituted Carbamic Acid Ester ALKBH3, CPS1, APEH LMNA 2324/4885TSHR 2998/4885CYP3A4 8/4885
US-20160052874-A1 METHOD FOR PRODUCING ISOCYANATE CPS1, ALKBH3, IDH3A LMNA 1301/4885TSHR 4410/4885CYP3A4 229/4885
US-20140194644-A1 N-Substituted Carbamic Acid Ester Production Method, Isocyanate Production Method Using Such N-Substituted Carbamic Acid Ester, and Composition for Transfer and Storage of N-Substituted Carbamic Acid Ester Comprising N-Substituted Carbamic Acid Ester and Aromatic Hydroxy Compound CPS1, ALKBH3, RCC1 LMNA 1776/4885TSHR 4686/4885CYP3A4 369/4885

“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.