Sugi Predict

Sugi Predict / Compounds / SCHEMBL4549475

SCHEMBL4549475

SCHEMBL4549475

CC(=O)OCC(=O)c1ccc(C)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 0.64
▸ NPC1 O15118 5/20 0.64
▸ ALDH1A1 P00352 3/20 0.64
▸ MAPT P10636 3/20 0.64
▸ KMT2A Q03164 4/20 0.58
▸ SMN1; SMN2 Q16637 3/20 0.55
▸ TP53 P04637 2/20 0.55
▸ HPGD P15428 2/20 0.55
▸ NFKB1 P19838 1/20 0.55
▸ NFKB2 Q00653 1/20 0.55
▸ RELA Q04206 1/20 0.55
▸ GSK3B P49841 1/20 0.53
▸ POLB P06746 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ LMNA P02545 2/20 0.51
▸ L3MBTL1 Q9Y468 2/20 0.51
▸ MEN1 O00255 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ MAPK1 P28482 1/20 0.47

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
SCHEMBL3039637 0.84 ALDH1A1 (0.64) RAB9ANPC1ALDH1A1MAPTKMT2A
SCHEMBL4775788 0.84 ALDH1A1 (0.64) RAB9ANPC1ALDH1A1MAPTTP53
SCHEMBL11757716 0.82 ALDH1A1 (0.62) RAB9ANPC1ALDH1A1MAPTKMT2A
SCHEMBL6989723 0.82 ALDH1A1 (0.62) RAB9ANPC1ALDH1A1MAPTKMT2A
SCHEMBL27962547 0.82 MAPT (0.66) RAB9ANPC1ALDH1A1MAPTKMT2A
SCHEMBL3041661 0.82 ALDH1A1 (0.62) RAB9ANPC1ALDH1A1MAPTKMT2A
SCHEMBL19426876 0.82 ALDH1A1 (0.62) RAB9ANPC1ALDH1A1MAPTKMT2A
SCHEMBL9943585 0.82 ALDH1A1 (0.62) RAB9ANPC1ALDH1A1MAPTKMT2A
SCHEMBL1155564 0.82 ALDH1A1 (0.62) RAB9ANPC1ALDH1A1MAPTKMT2A
SCHEMBL1907159 0.82 NPC1 (0.61) RAB9ANPC1ALDH1A1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9732109-B2 Pesticidal compositions DOW AGROSCIENCES LLC (US) 2017-08-15 — — US disclosed
US-20160297820-A1 DIMERIZER COMPOUND AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2016-10-13 — — US disclosed
US-9179681-B2 Pesticidal compositions DOW AGROSCIENCES LLC (US) 2015-11-10 — — US disclosed
US-9018363-B2 Pesticidal compositions DOW AGROSCIENCES LLC (US) 2015-04-28 — — US disclosed
US-9006468-B2 Pesticidal compositions DOW AGROSCIENCES, LLC. (US) 2015-04-14 — — US disclosed
US-20150080326-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2015-03-19 — — US disclosed
US-8927729-B2 Pesticidal compositions DOW AGROSCIENCES, LLC. (US) 2015-01-06 — — US disclosed
US-20140148340-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2014-05-29 — — US disclosed
US-20140135364-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2014-05-15 — — US disclosed
US-8680269-B2 Pesticidal compositions DOW AGROSCIENCES, LLC. (US) 2014-03-25 — — US disclosed
US-8674109-B2 Pesticidal compositions DOW AGROSCIENCES, LLC. (US) 2014-03-18 — — US disclosed
US-20120190543-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2012-07-26 — — US disclosed
US-20120172218-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2012-07-05 — — US disclosed
US-20120172217-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2012-07-05 — — US disclosed
US-20120122805-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2012-05-17 — — US disclosed
US-8178658-B2 Insecticide (against arthropods), nematocide; use against pesticide-resistant pests; use on plants and animals; Compounds are tetrahydropyrans substituted with an aryl-heteroaryl-aryl-containing group DOW AGROSCIENCES, LLC (US) 2012-05-15 — — US disclosed
US-20090209476-A1 Insecticide (against arthropods), nematocide; use against pesticide-resistant pests; use on plants and animals; Compounds are tetrahydropyrans substituted with an aryl-heteroaryl-aryl-containing group DOW AGROSCIENCES LLC (US) 2009-08-20 — — US disclosed
US-4054719-A ACRYLIC ESTER, TERTIARY AMINE AMERICAN CYANAMID COMPANY (US) 1977-10-18 — — 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 (9 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-20160297820-A1 DIMERIZER COMPOUND BID, BMP4, GCG RAB9A 3681/4885NPC1 3228/4885ALDH1A1 4722/4885
US-20090209476-A1 Insecticide (against arthropods), nematocide; use against pesticide-resistant pests; use on plants and animals; Compounds are tetrahydropyrans substituted with an aryl-heteroaryl-aryl-containing group DDT, ACHE, NANP RAB9A 371/4885NPC1 1008/4885ALDH1A1 2110/4885
US-20120172218-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS RAB9A 848/4885NPC1 4139/4885ALDH1A1 2560/4885
US-20150080326-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS RAB9A 848/4885NPC1 4139/4885ALDH1A1 2560/4885
US-20120190543-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, AADAC RAB9A 769/4885NPC1 2246/4885ALDH1A1 2867/4885
US-20140148340-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PLCG2 RAB9A 487/4885NPC1 3584/4885ALDH1A1 2480/4885
US-20120172217-A1 PESTICIDAL COMPOSITIONS DDT, AADAC, ACHE RAB9A 753/4885NPC1 1488/4885ALDH1A1 1359/4885
US-20120122805-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS RAB9A 848/4885NPC1 4139/4885ALDH1A1 2560/4885
US-20140135364-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PLCG2 RAB9A 487/4885NPC1 3584/4885ALDH1A1 2480/4885

“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.