SCHEMBL17346751

SCHEMBL17346751

O=C(NCc1cccc(CNC(=O)Oc2ccccc2)c1)Oc1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.63
HTT P42858 1/20 0.63
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
EPHX1 P07099 2/20 0.59
HSD17B10 Q99714 1/20 0.56
MGLL Q99685 1/20 0.52
FAAH O00519 1/20 0.52
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
PKM P14618 1/20 0.51
ALOX12 P18054 1/20 0.51
TAAR1 Q96RJ0 2/20 0.51
GAA P10253 1/20 0.51

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
SCHEMBL5108159 0.91 NPC1 (0.69) ALDH1A1HTTNPC1RAB9AEPHX1
SCHEMBL17863575 0.91 MMP13 (0.58) ALDH1A1HTTNPC1RAB9AEPHX1
SCHEMBL241141 0.91 ALDH1A1 (0.58) ALDH1A1HTTNPC1RAB9AEPHX1
SCHEMBL1680576 0.91 ALDH1A1 (0.58) ALDH1A1HTTNPC1RAB9AEPHX1
SCHEMBL23447430 0.89 NPC1 (0.57) ALDH1A1HTTNPC1RAB9AEPHX1
SCHEMBL3281978 0.89 FAAH (0.58) ALDH1A1HTTNPC1RAB9AEPHX1
SCHEMBL28397858 0.89 ALDH1A1 (0.56) ALDH1A1HTTNPC1RAB9AEPHX1
SCHEMBL17552096 0.87 NPC1 (0.69) ALDH1A1HTTNPC1RAB9AEPHX1
SCHEMBL24713417 0.85 MAPK14 (0.66) ALDH1A1HTTFAAHLMNAGAA
SCHEMBL9263805 0.85 NPC1 (0.67) ALDH1A1HTTNPC1RAB9AEPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11352319-B2 Method for producing carbamate and method for producing isocyanate ASAHI KASEI KABUSHIKI KAISHA (JP) 2022-06-07 US disclosed
US-20210179548-A1 METHOD FOR PRODUCING CARBAMATE AND METHOD FOR PRODUCING ISOCYANATE ASAHI KASEI KABUSHIKI KAISHA (JP) 2021-06-17 US disclosed
US-10968168-B2 Isocyanate production method ASAHI KASEI KABUSHIKI KAISHA (JP) 2021-04-06 US disclosed
US-20200115327-A1 ISOCYANATE PRODUCTION METHOD ASAHI KASEI KABUSHIKI KAISHA (JP) 2020-04-16 US disclosed
US-10338290-B2 Cellulose ester film, polarizing plate, and liquid crystal display device FUJIFILM CORPORATION (JP) 2019-07-02 US disclosed
US-10040754-B2 Cellulose acylate film, novel compound, polarizing plate and liquid crystal display device FUJIFILM CORPORATION (JP) 2018-08-07 US disclosed
US-20160370522-A1 CELLULOSE ESTER FILM, POLARIZING PLATE, AND LIQUID CRYSTAL DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2016-12-22 US disclosed
US-20160060405-A1 POLYMER FILM, POLARIZING PLATE AND LIQUID CRYSTAL DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2016-03-03 US disclosed
US-20150361036-A1 CELLULOSE ACYLATE FILM, NOVEL COMPOUND, POLARIZING PLATE AND LIQUID CRYSTAL DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2015-12-17 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 (6 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-11352319-B2 Method for producing carbamate and method for producing isocyanate CPS1, CA7, CA4 ALDH1A1 781/4885HTT 2147/4885NPC1 2143/4885
US-20200115327-A1 ISOCYANATE PRODUCTION METHOD IDH3A, ALKBH3, CPS1 ALDH1A1 1502/4885HTT 2432/4885NPC1 2887/4885
US-20210179548-A1 METHOD FOR PRODUCING CARBAMATE AND METHOD FOR PRODUCING ISOCYANATE CPS1, CA7, CA4 ALDH1A1 781/4885HTT 2147/4885NPC1 2143/4885
US-10968168-B2 Isocyanate production method IDH3A, ALKBH3, CPS1 ALDH1A1 1502/4885HTT 2432/4885NPC1 2887/4885
US-10040754-B2 Cellulose acylate film, novel compound, polarizing plate and liquid crystal display device NR1D1, NR1H2, NR1D2 ALDH1A1 3058/4885HTT 4251/4885NPC1 456/4885
US-20150361036-A1 CELLULOSE ACYLATE FILM, NOVEL COMPOUND, POLARIZING PLATE AND LIQUID CRYSTAL DISPLAY DEVICE NR1D1, NR1H2, NR1D2 ALDH1A1 3058/4885HTT 4251/4885NPC1 456/4885

“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.