SCHEMBL983302

SCHEMBL983302

CCCCC(CC)c1ccccc1Oc1[c]cccc1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.34
EGFR P00533 1/20 0.34
TSHR P16473 1/20 0.31
CYSLTR2 Q9NS75 1/20 0.30
CYSLTR1 Q9Y271 1/20 0.30
NR1I2 O75469 1/20 0.30
CA2 P00918 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP3A4 P08684 1/20 0.30
PPARG P37231 2/20 0.30

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
SCHEMBL980127 0.92 DHFR (0.34) DHFREGFRCYSLTR2CYSLTR1PPARG
SCHEMBL982030 0.92 DHFR (0.32) DHFREGFR
SCHEMBL981915 0.89 L3MBTL1 (0.33) TSHRALDH1A1
SCHEMBL984171 0.86 KDM4E (0.33) TSHRPPARG
SCHEMBL982282 0.86 DHFR (0.33) DHFREGFR
SCHEMBL982118 0.80 KDM4E (0.32) TSHR
SCHEMBL983861 0.80 TSHR (0.44) TSHRALDH1A1
SCHEMBL7784135 0.79 PPARG (0.40) DHFREGFRCYSLTR2CYSLTR1NR1I2
SCHEMBL29028928 0.78 PPARG (0.42) DHFREGFRCYSLTR2CYSLTR1NR1I2
SCHEMBL982898 0.76 TSHR (0.41) DHFREGFRTSHRCA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20110092731-A1 ISOCYANATE PRODUCTION PROCESS ASAHI KASEI CHEMICALS CORPORATION (JP) 2011-04-21 US disclosed
EP-2275406-A1 PROCESS FOR PRODUCING ISOCYANATE Asahi Kasei Chemicals Corporation (JP) 2011-01-19 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-20110092731-A1 ISOCYANATE PRODUCTION PROCESS CPS1, PHGDH, APEH DHFR 450/4885EGFR 2506/4885TSHR 4853/4885

“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.