SCHEMBL2025550

SCHEMBL2025550

CCCc1ccccc1OC(=O)OCCCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
ELANE P08246 1/20 0.46
NPC1 O15118 1/20 0.46
RECQL P46063 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CTSK P43235 1/20 0.44
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
PTGES O14684 1/20 0.44
ALOX5 P09917 1/20 0.44
PPARG P37231 1/20 0.44
LTB4R Q15722 1/20 0.44
LTB4R2 Q9NPC1 1/20 0.44
PPARD Q03181 1/20 0.43
PTGER1 P34995 1/20 0.43
PTGER4 P35408 1/20 0.43
PTGER3 P43115 1/20 0.43
PTGER2 P43116 1/20 0.43
SCN1A P35498 1/20 0.43

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
SCHEMBL2041375 0.96 LTB4R (0.48) LMNAELANETHRATHRBPTGES
SCHEMBL2017210 0.95 LTB4R (0.50) LMNAELANETHRATHRBLTB4R
SCHEMBL2018675 0.95 LTB4R (0.50) LMNAELANETHRATHRBLTB4R
SCHEMBL2016936 0.95 LTB4R (0.50) LMNAELANETHRATHRBLTB4R
SCHEMBL2044095 0.95 LTB4R (0.50) LMNAELANETHRATHRBLTB4R
SCHEMBL2023083 0.95 LTB4R (0.50) LMNAELANETHRATHRBLTB4R
SCHEMBL2022119 0.93 THRA (0.49) LMNAELANENPC1RECQLRAB9A
SCHEMBL2018113 0.92 THRA (0.54) LMNAELANENPC1RECQLRAB9A
SCHEMBL2019786 0.92 ALOX5 (0.43) ELANENPC1RAB9ASMN1; SMN2CTSK
SCHEMBL2023582 0.92 LMNA (0.53) LMNAELANENPC1RECQLRAB9A

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 2324/4885ELANE 1314/4885NPC1 895/4885
US-20160052874-A1 METHOD FOR PRODUCING ISOCYANATE CPS1, ALKBH3, IDH3A LMNA 1301/4885ELANE 1745/4885NPC1 553/4885
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 1776/4885ELANE 1023/4885NPC1 477/4885

“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.