SCHEMBL2021749

SCHEMBL2021749

Cc1ccccc1OC(=O)OCCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.46
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
TDP1 Q9NUW8 3/20 0.45
ALOX5 P09917 2/20 0.45
L3MBTL1 Q9Y468 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
ATM Q13315 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
ALDH1A1 P00352 2/20 0.44
TP53 P04637 1/20 0.44
GLA P06280 1/20 0.44
CYP3A4 P08684 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
HIF1A Q16665 1/20 0.44
HSD17B10 Q99714 1/20 0.44
AKR1B10 O60218 1/20 0.44

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
SCHEMBL2024781 0.91 LMNA (0.54) TDP1ALOX5L3MBTL1SMN1; SMN2ATM
SCHEMBL2047326 0.90 LMNA (0.49) SMN1; SMN2NPC1RAB9AHPGDLMNA
SCHEMBL2026895 0.90 PPARG (0.48) HCAR2ESR1ESR2TDP1ALOX5
SCHEMBL2019970 0.88 LMNA (0.48) SMN1; SMN2NPC1RAB9AHPGDMAPT
SCHEMBL2019555 0.88 LMNA (0.48) SMN1; SMN2NPC1RAB9AHPGDMAPT
SCHEMBL2021460 0.88 LMNA (0.48) SMN1; SMN2NPC1RAB9AHPGDMAPT
SCHEMBL2052033 0.88 LMNA (0.48) SMN1; SMN2NPC1RAB9AHPGDMAPT
SCHEMBL2022112 0.88 LMNA (0.48) SMN1; SMN2NPC1RAB9AHPGDMAPT
SCHEMBL16732195 0.87 RXRA (0.47) TDP1L3MBTL1SMN1; SMN2ATMNPC1
SCHEMBL16732035 0.84 TSHR (0.50) TDP1L3MBTL1ATMHPGDTSHR

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 HCAR2 62/4885ESR1 623/4885ESR2 986/4885
US-20160052874-A1 METHOD FOR PRODUCING ISOCYANATE CPS1, ALKBH3, IDH3A HCAR2 188/4885ESR1 2438/4885ESR2 3224/4885
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 HCAR2 17/4885ESR1 869/4885ESR2 1640/4885

“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.