SCHEMBL984518

SCHEMBL984518

CCCC(C)(OC(=O)O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 5/20 0.47
HIF1A Q16665 1/20 0.47
LMNA P02545 4/20 0.42
CYP1A2 P05177 4/20 0.42
CYP2D6 P10635 4/20 0.42
SCN1A P35498 3/20 0.42
SCN2A Q99250 3/20 0.42
SCN3A Q9NY46 3/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42
MTOR P42345 1/20 0.42
RAB9A P51151 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
NR1I2 O75469 1/20 0.41
CYP1A1 P04798 1/20 0.41

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
SCHEMBL28624062 0.85 CYP2C19 (0.41) CYP2C19HIF1ALMNACYP1A2CYP2D6
SCHEMBL7949342 0.85 CYP2C19 (0.50) CYP2C19HIF1ACYP1A2CYP2D6TSHR
SCHEMBL15899376 0.83 CYP2C19 (0.42) CYP2C19HIF1ALMNACYP1A2CYP2D6
SCHEMBL15899232 0.83 CYP2C19 (0.44) CYP2C19HIF1ALMNATSHRRAB9A
SCHEMBL15899347 0.82 CYP2C19 (0.41) CYP2C19HIF1ALMNACYP1A2CYP2D6
SCHEMBL15188011 0.82 CYP2C19 (0.41) CYP2C19HIF1ALMNACYP1A2CYP2D6
SCHEMBL15899391 0.81 SMN1; SMN2 (0.40) CYP2C19HIF1ATSHRRAB9ACHRM2
SCHEMBL15899483 0.80 KDM4E (0.45) CYP2C19HIF1ALMNATSHRKMT2A
SCHEMBL2342433 0.80 CYP2C19 (0.44) CYP2C19HIF1ALMNACYP1A2CYP2D6
SCHEMBL28615506 0.80 CYP2C19 (0.48) CYP2C19HIF1ACYP1A2CYP2D6CYP3A4

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 CYP2C19 485/4885HIF1A 1711/4885LMNA 2379/4885
US-20110054211-A1 PROCESS FOR PRODUCING ISOCYANATES USING DIARYL CARBONATE PAH, AADAC, PHGDH CYP2C19 98/4885HIF1A 2151/4885LMNA 3368/4885

“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.