SCHEMBL984514

SCHEMBL984514

CCc1ccccc1C(C)(C)OC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
CYP2C19 P33261 3/20 0.39
HIF1A Q16665 1/20 0.39
ALDH1A1 P00352 4/20 0.36
MAPT P10636 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
POLB P06746 1/20 0.36
MEN1 O00255 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLQ O75417 1/20 0.36
HSD11B1 P28845 1/20 0.35
CLCN2 P51788 1/20 0.35
KDM4E B2RXH2 2/20 0.35
GAA P10253 1/20 0.35
RXRA P19793 1/20 0.35

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
SCHEMBL984512 0.87 GABRA1 (0.42) GABRA1GABRB2CYP2C19HIF1AALDH1A1
SCHEMBL1790388 0.79 TDP1 (0.44) CYP2C19HIF1AALDH1A1KDM4EGAA
SCHEMBL10029475 0.77 GABRA1 (0.41) GABRA1GABRB2ALDH1A1MAPTSMN1; SMN2
Hydrogen Peroxide SCHEMBL11570368 0.77 GABRA1 (0.50) GABRA1GABRB2ALDH1A1MAPTPOLB
SCHEMBL1788772 0.76 KCNN4 (0.46) CYP2C19HIF1AALDH1A1MAPTPOLB
SCHEMBL27552875 0.76 KCNN4 (0.40) CYP2C19HIF1AALDH1A1POLBALOX15
SCHEMBL13462919 0.76 GABRA1 (0.40) GABRA1GABRB2ALDH1A1MAPTKMT2A
SCHEMBL10218791 0.76 GABRA1 (0.45) GABRA1GABRB2CYP2C19HIF1AALDH1A1
SCHEMBL10448955 0.76 GABRA1 (0.45) GABRA1GABRB2CYP2C19HIF1AALDH1A1
SCHEMBL10522348 0.73 GABRA1 (0.46) GABRA1GABRB2ALDH1A1MAPTPOLB

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
EP-2275405-B1 PROCESS FOR PRODUCING ISOCYANATE USING DIARYL CARBONATE ASAHI CHEMICAL IND (JP) 2019-04-24 EP disclosed
EP-2275406-B1 PROCESS FOR PRODUCING ISOCYANATE ASAHI CHEMICAL IND (JP) 2018-11-28 EP disclosed
US-9233918-B2 Isocyanate production process ASAHI KASEI CHEMICALS CORPORATION (JP) 2016-01-12 US disclosed
US-8895774-B2 Process for producing isocyanates using diaryl carbonate ASAHI KASEI CHEMICALS CORPORATION (JP) 2014-11-25 US disclosed
US-20110092731-A1 ISOCYANATE PRODUCTION PROCESS ASAHI KASEI CHEMICALS CORPORATION (JP) 2011-04-21 US disclosed
US-20110054211-A1 PROCESS FOR PRODUCING ISOCYANATES USING DIARYL CARBONATE ASAHI KASEI CHEMICALS CORPORATION (JP) 2011-03-03 US disclosed
EP-2275406-A1 PROCESS FOR PRODUCING ISOCYANATE Asahi Kasei Chemicals Corporation (JP) 2011-01-19 EP disclosed
EP-2275405-A1 PROCESS FOR PRODUCING ISOCYANATE USING DIARYL CARBONATE Asahi Kasei Chemicals Corporation (JP) 2011-01-19 EP disclosed
US-6197918-B1 INTERCHANGE REACTION OF DIALKYL CARBONATE AND AROMATIC ALCOHOL; CATALYSIS WITH TITANIUM HALIDE, ALKOXIDE, ARYLOXIDE, OR ACETOXIDE GENERAL ELECTRIC COMPANY 2001-03-06 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 (2 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-20110092731-A1 ISOCYANATE PRODUCTION PROCESS CPS1, PHGDH, APEH GABRA1 4305/4885GABRB2 3761/4885CYP2C19 485/4885
US-20110054211-A1 PROCESS FOR PRODUCING ISOCYANATES USING DIARYL CARBONATE PAH, AADAC, PHGDH GABRA1 4570/4885GABRB2 4527/4885CYP2C19 98/4885

“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.