SCHEMBL21175627

SCHEMBL21175627

CCCCc1ccccc1C(C)OC(C)c1ccccc1CCCC

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
CYSLTR2 Q9NS75 9/20 0.43
CYSLTR1 Q9Y271 9/20 0.43
LIPG Q9Y5X9 1/20 0.41
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALOX5 P09917 1/20 0.37
PTGS2 P35354 1/20 0.37
TLR8 Q9NR97 1/20 0.36

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
SCHEMBL706042 0.86 ADRA2A (0.43) ADRA2AADRA2BADRA2CCYSLTR2CYSLTR1
SCHEMBL5665256 0.82 CYSLTR2 (0.46) ADRA2AADRA2BADRA2CCYSLTR2CYSLTR1
SCHEMBL9621646 0.82 CYSLTR2 (0.46) ADRA2AADRA2BADRA2CCYSLTR2CYSLTR1
SCHEMBL30436245 0.82 CYSLTR2 (0.46) ADRA2AADRA2BADRA2CCYSLTR2CYSLTR1
SCHEMBL3482119 0.81 CYSLTR2 (0.47) ADRA2AADRA2BADRA2CCYSLTR2CYSLTR1
SCHEMBL8750403 0.80 MAPT (0.41) ADRA2AADRA2BADRA2CCYP3A4CYP2D6
SCHEMBL8971247 0.80 CYSLTR2 (0.52) CYSLTR2CYSLTR1LIPGALOX5PTGS2
SCHEMBL5932304 0.79 CYSLTR2 (0.48) CYSLTR2CYSLTR1LIPGCYP3A4CYP2D6
SCHEMBL16155004 0.79 CYSLTR2 (0.48) CYSLTR2CYSLTR1LIPGCYP3A4CYP2D6
SCHEMBL7923490 0.79 CYSLTR2 (0.44) ADRA2AADRA2BADRA2CCYSLTR2CYSLTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3527593-B1 ISOCYANATE COMPOSITION, METHOD FOR PRODUCING ISOCYANATE COMPOSITION, AND METHOD FOR PRODUCING ISOCYANATE POLYMER ASAHI CHEMICAL IND (JP) 2025-07-23 EP disclosed
EP-3527600-B1 ISOCYANATE COMPOSITION AND PRODUCTION METHOD FOR ISOCYANATE POLYMER ASAHI CHEMICAL IND (JP) 2025-07-09 EP disclosed
US-20230114799-A1 ISOCYANATE COMPOSITION AND METHOD FOR PRODUCING ISOCYANATE POLYMER ASAHI KASEI KABUSHIKI KAISHA (JP) 2023-04-13 US disclosed
US-11548975-B2 Isocyanate composition and method for producing isocyanate polymer ASAHI KASEI KABUSHIKI KAISHA (JP) 2023-01-10 US disclosed
US-11118001-B2 Isocyanate composition, method for producing isocyanate composition, and method for producing isocyanate polymer ASAHI KASEI KABUSHIKI KAISHA (JP) 2021-09-14 US disclosed
US-11078321-B2 2021-08-03 US disclosed
US-20200048403-A1 ISOCYANATE COMPOSITION, METHOD FOR PRODUCING ISOCYANATE COMPOSITION, AND METHOD FOR PRODUCING ISOCYANATE POLYMER ASAHI KASEI KABUSHIKI KAISHA (JP) 2020-02-13 US disclosed
EP-3527600-A1 ISOCYANATE COMPOSITION AND PRODUCTION METHOD FOR ISOCYANATE POLYMER ASAHI KASEI KABUSHIKI KAISHA (JP) 2019-08-21 EP disclosed
EP-3527593-A1 ISOCYANATE COMPOSITION, PRODUCTION METHOD FOR ISOCYANATE COMPOSITION, AND PRODUCTION METHOD FOR ISOCYANATE POLYMER ASAHI KASEI KABUSHIKI KAISHA (JP) 2019-08-21 EP disclosed
US-20190225739-A1 ISOCYANATE COMPOSITION AND METHOD FOR PRODUCING ISOCYANATE POLYMER ASAHI KASEI KABUSHIKI KAISHA (JP) 2019-07-25 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 (4 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-11548975-B2 Isocyanate composition and method for producing isocyanate polymer IDH3A, IDH2, IDH3B ADRA2A 4689/4885ADRA2B 4746/4885ADRA2C 4639/4885
US-11078321-B2 IDH3A, IPO4, F12 ADRA2A 3064/4885ADRA2B 2803/4885ADRA2C 2989/4885
US-20230114799-A1 ISOCYANATE COMPOSITION AND METHOD FOR PRODUCING ISOCYANATE POLYMER IDH3A, IDH2, IDH3B ADRA2A 4654/4885ADRA2B 4750/4885ADRA2C 4652/4885
US-11118001-B2 Isocyanate composition, method for producing isocyanate composition, and method for producing isocyanate polymer IDH3A, IPO4, IDH3B ADRA2A 4002/4885ADRA2B 3808/4885ADRA2C 3843/4885

“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.