SCHEMBL1834517

SCHEMBL1834517

CCC(C)(C)c1ccc(OC(=O)Nc2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.65
ALDH1A1 P00352 6/20 0.61
GAA P10253 2/20 0.61
HTT P42858 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
MAPT P10636 4/20 0.54
FAAH O00519 6/20 0.53
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
LMNA P02545 1/20 0.52
TP53 P04637 1/20 0.52
THRB P10828 2/20 0.50
KDM4E B2RXH2 2/20 0.50
GFER P55789 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
HPGD P15428 1/20 0.50
CYP1A2 P05177 1/20 0.49
RAD51 Q06609 1/20 0.49
POLB P06746 2/20 0.48
CYP2D6 P10635 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
SCHEMBL1951866 0.86 RAB9A (0.55) RAB9AALDH1A1GAAHTTSMN1; SMN2
SCHEMBL9126978 0.85 ALDH1A1 (0.69) RAB9AALDH1A1GAAHTTSMN1; SMN2
Bromide SCHEMBL6849872 0.84 ALDH1A1 (0.67) RAB9AALDH1A1GAAHTTSMN1; SMN2
SCHEMBL9187129 0.84 ALDH1A1 (0.67) RAB9AALDH1A1GAAHTTSMN1; SMN2
Benzene SCHEMBL28840969 0.82 RAB9A (0.50) RAB9AMAPTTDP1POLBNPC1
SCHEMBL1841957 0.81 TDP1 (0.44) RAB9AALDH1A1GAAHTTSMN1; SMN2
SCHEMBL15467807 0.81 MDH1 (0.60) RAB9AALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL19490759 0.80 BCHE (0.50) RAB9AMAPTTDP1CYP1A2POLB
SCHEMBL9126567 0.80 ALDH1A1 (0.61) RAB9AALDH1A1GAAHTTSMN1; SMN2
SCHEMBL1954988 0.79 RAB9A (1.00) RAB9AALDH1A1GAAHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103588680-B N-substituted carbamate conveying with and storage compositions and manufacture isocyanates method 旭化成株式会社 2016-08-10 CN disclosed
CN-102471244-B Process for producing N-substituted carbamate, process for producing isocyanate using the N-substituted carbamate, and composition for transporting and storing N-substituted carbamate containing N-substituted carbamate and aromatic hydroxy compound ASAHI CHEMICAL CORP 2014-09-24 CN disclosed
CN-103588680-A Composition for transfer and storage of N-substituted carbamic acid ester and isocyanate production method ASAHI KASEI CHEMICALS CORP 2014-02-19 CN disclosed
CN-103553972-A Method for the preparation of n-substituted carbamic acid ester and method for the preparation of isocyanate using the n-substituted carbamic acid ester ASAHI KASEI CHEMICALS CORP 2014-02-05 CN disclosed
CN-102471244-A Process for producing N-substituted carbamate, process for producing isocyanate using the N-substituted carbamate, and composition for transporting and storing N-substituted carbamate containing N-substituted carbamate and aromatic hydroxy compound ASAHI KASEI CHEMICALS CORP (JP) 2012-05-23 CN 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
EP-2322504-A1 PROCESS FOR THE PREPARATION OF N-SUBSTITUTED CARBAMIC ACID ESTER AND PROCESS FOR THE PREPARATION OF ISOCYANATE USING THE N-SUBSTITUTED CARBAMIC ACID ESTER Asahi Kasei Chemicals Corporation (JP) 2011-05-18 EP 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 (1 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 RAB9A 2751/4885ALDH1A1 574/4885GAA 1299/4885

“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.