SCHEMBL6889273

SCHEMBL6889273

CCCCCCCC(OC(CCCCCCC)c1ccccc1C)c1ccccc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.50
PPARG P37231 2/20 0.37
PRSS1 P07477 3/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
CSNK1E P49674 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYSLTR2 Q9NS75 1/20 0.35
CYSLTR1 Q9Y271 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CTSG P08311 2/20 0.35
CTRB1 P17538 2/20 0.35
CMA1 P23946 2/20 0.35
P2RX7 Q99572 1/20 0.35
SLC37A4 O43826 1/20 0.34
TSHR P16473 1/20 0.33

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
SCHEMBL16934005 1.00 ESR1 (0.50) ESR1PPARGPRSS1PRSS2PRSS3
SCHEMBL16933759 1.00 ESR1 (0.50) ESR1PPARGPRSS1PRSS2PRSS3
SCHEMBL15473529 0.90 ESR1 (0.46) ESR1PPARGPRSS1PRSS2PRSS3
SCHEMBL3642257 0.87 ESR1 (0.43) ESR1PPARGPRSS1PRSS2PRSS3
SCHEMBL21175618 0.85 ESR1 (0.52) ESR1SLC6A2SLC6A4KMT2ANPSR1
SCHEMBL9796318 0.82 ALDH1A1 (0.43) ESR1PPARGPRSS1PRSS2PRSS3
SCHEMBL16933960 0.81 CYSLTR2 (0.43) PPARGPRSS1PRSS2PRSS3CSNK1E
SCHEMBL16933724 0.81 CYSLTR2 (0.43) PPARGPRSS1PRSS2PRSS3CSNK1E
SCHEMBL16933761 0.81 CYSLTR2 (0.43) PPARGPRSS1PRSS2PRSS3CSNK1E
SCHEMBL6547454 0.80 CYSLTR2 (0.48) ESR1PPARGPRSS1PRSS2PRSS3

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 13 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
US-10125212-B2 Polyisocyanate composition and isocyanate polymer composition ASAHI KASEI KABUSHIKI KAISHA (JP) 2018-11-13 US disclosed
US-20150210631-A1 Polyisocyanate Composition and Isocyanate Polymer Composition ASAHI KASEI CHEMICALS CORPORATION (JP) 2015-07-30 US disclosed
US-20040208837-A1 Agents and method for treating keratinous fibers KRUEGER MARCUS (DE) 2004-10-21 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 (6 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 ESR1 3542/4885PPARG 3510/4885PRSS1 4781/4885
US-11078321-B2 IDH3A, IPO4, F12 ESR1 4454/4885PPARG 4695/4885PRSS1 4521/4885
US-20230114799-A1 ISOCYANATE COMPOSITION AND METHOD FOR PRODUCING ISOCYANATE POLYMER IDH3A, IDH2, IDH3B ESR1 3404/4885PPARG 3416/4885PRSS1 4790/4885
US-10125212-B2 Polyisocyanate composition and isocyanate polymer composition TST, SUDS3, SCLY ESR1 2237/4885PPARG 824/4885PRSS1 3269/4885
US-11118001-B2 Isocyanate composition, method for producing isocyanate composition, and method for producing isocyanate polymer IDH3A, IPO4, IDH3B ESR1 4660/4885PPARG 4792/4885PRSS1 4512/4885
US-20150210631-A1 Polyisocyanate Composition and Isocyanate Polymer Composition TST, SUDS3, SCLY ESR1 2237/4885PPARG 824/4885PRSS1 3269/4885

“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.