Sugi Predict

Sugi Predict / Compounds / SCHEMBL16492016

SCHEMBL16492016

SCHEMBL16492016

CCCCC(CC)COc1ccc(C2=C3C(=O)NC(c4ccc(OCC(CC)CCCC)cc4)=C3C(=O)N2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 5/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ CA2 P00918 1/20 0.39
▸ TDP1 Q9NUW8 2/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP19A1 P11511 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ LMNA P02545 3/20 0.36
▸ PLA2G2A P14555 3/20 0.36
▸ TSHR P16473 2/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ PRSS1 P07477 1/20 0.35
▸ PRSS2 P07478 1/20 0.35

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
SCHEMBL22914733 0.92 PLA2G2A (0.39) CYP3A4ALDH1A1CA2TDP1L3MBTL1
SCHEMBL20357876 0.82 CYP3A4 (0.47) CYP3A4ALDH1A1CA2TDP1L3MBTL1
SCHEMBL12424848 0.80 BDKRB2 (0.40) CYP3A4ALDH1A1CA2TDP1L3MBTL1
SCHEMBL1356320 0.80 ALDH1A1 (0.50) CYP3A4ALDH1A1CA2TDP1L3MBTL1
SCHEMBL1357035 0.80 ALDH1A1 (0.50) CYP3A4ALDH1A1CA2TDP1L3MBTL1
SCHEMBL19011934 0.80 FFAR1 (0.44) CYP3A4MAPTPLA2G2A
SCHEMBL25636560 0.79 RARB (0.50) CYP3A4CYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL17085502 0.78 RARB (0.52) CYP3A4CYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL13581607 0.76 CYP3A4 (0.43) CYP3A4ALDH1A1CA2TDP1L3MBTL1
SCHEMBL20357959 0.76 PRSS1 (0.49) CYP3A4ALDH1A1CA2TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023127507-A1 POWDERED PIGMENT COMPOSITION, METHOD FOR PRODUCING POWDERED PIGMENT COMPOSITION, RESIN COMPOSITION, AND MOLDED BODY DIC株式会社 2023-07-06 — — WO disclosed
US-20210030895-A1 RESIN COMPOSITION AND MOLDED ARTICLE DIC CORPORATION (JP) 2021-02-04 — — US disclosed
US-20160271273-A1 RESIN COMPOSITION AND MOLDED ARTICLE DIC CORPORATION (JP) 2016-09-22 — — US disclosed
US-20160200970-A1 RESIN COMPOSITION AND MOLDED ARTICLE NATIONAL UNIVERSITY CORPORATION KOCHI UNIVERSITY (JP) 2016-07-14 — — US disclosed
WO-2015022977-A1 RESIN COMPOSITION AND MOLDED ARTICLE DIC株式会社 (JP) 2015-02-19 — — WO 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-20160271273-A1 RESIN COMPOSITION AND MOLDED ARTICLE IK, CBR3, RER1 CYP3A4 222/4885ALDH1A1 643/4885CA2 3650/4885
US-20210030895-A1 RESIN COMPOSITION AND MOLDED ARTICLE IK, CBR3, RER1 CYP3A4 222/4885ALDH1A1 643/4885CA2 3650/4885

“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.