SCHEMBL21175577

SCHEMBL21175577

CCCCc1ccc(CCCCOCCCCc2ccc(CCCC)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
LMNA P02545 2/20 0.53
CYP3A4 P08684 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MEN1 O00255 1/20 0.53
USP2 O75604 1/20 0.53
MAPK1 P28482 1/20 0.53
CASP1 P29466 1/20 0.53
KMT2A Q03164 1/20 0.53
SLCO1B3 Q9NPD5 1/20 0.53
SLCO1B1 Q9Y6L6 1/20 0.53
ESR1 P03372 2/20 0.52
ADRA2A P08913 2/20 0.52
ADORA3 P0DMS8 2/20 0.52
TACR2 P21452 2/20 0.52
SLC6A2 P23975 2/20 0.52
SLC6A4 P31645 2/20 0.52
SLC6A3 Q01959 2/20 0.52
HSD17B10 Q99714 2/20 0.52
KDM4E B2RXH2 1/20 0.52

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
SCHEMBL9357895 0.93 ALDH1A1 (0.61) ALDH1A1LMNACYP3A4SMN1; SMN2MEN1
SCHEMBL21175628 0.88 CA2 (0.52) ALDH1A1LMNACYP3A4SMN1; SMN2MEN1
SCHEMBL21175586 0.86 TAAR1 (0.48) ALDH1A1LMNACYP3A4SMN1; SMN2MEN1
SCHEMBL19267327 0.86 LMNA (0.54) ALDH1A1LMNACYP3A4SMN1; SMN2MEN1
SCHEMBL12459723 0.86 L3MBTL1 (0.64) ALDH1A1LMNACYP3A4SMN1; SMN2MEN1
SCHEMBL23600924 0.86 ALDH1A1 (0.54) ALDH1A1LMNACYP3A4SMN1; SMN2MEN1
SCHEMBL25230817 0.86 ESR1 (0.69) ALDH1A1LMNACYP3A4SMN1; SMN2MEN1
SCHEMBL3055601 0.86 ALDH1A1 (0.50) ALDH1A1LMNACYP3A4SMN1; SMN2MEN1
SCHEMBL19244119 0.86 ALDH1A1 (0.50) ALDH1A1LMNACYP3A4SMN1; SMN2MEN1
SCHEMBL9260139 0.86 CYP3A4 (0.75) ALDH1A1LMNACYP3A4SMN1; SMN2MEN1

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-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
EP-3527600-A1 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 ALDH1A1 643/4885LMNA 2021/4885CYP3A4 84/4885
US-11078321-B2 IDH3A, IPO4, F12 ALDH1A1 1282/4885LMNA 3962/4885CYP3A4 64/4885
US-20230114799-A1 ISOCYANATE COMPOSITION AND METHOD FOR PRODUCING ISOCYANATE POLYMER IDH3A, IDH2, IDH3B ALDH1A1 666/4885LMNA 1933/4885CYP3A4 165/4885
US-11118001-B2 Isocyanate composition, method for producing isocyanate composition, and method for producing isocyanate polymer IDH3A, IPO4, IDH3B ALDH1A1 2106/4885LMNA 4003/4885CYP3A4 43/4885

“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.