Sugi Predict

Sugi Predict / Compounds / SCHEMBL4064858

SCHEMBL4064858

SCHEMBL4064858

CCCCOc1ccc(C=O)c(OCCCC)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.51
▸ MAOB P27338 2/20 0.49
▸ HPGD P15428 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ HTT P42858 1/20 0.47
▸ MDM2 Q00987 2/20 0.46
▸ ERN1 O75460 1/20 0.45
▸ TDP1 Q9NUW8 2/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ MAPT P10636 3/20 0.43
▸ HDAC8 Q9BY41 2/20 0.43
▸ CA12 O43570 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA3 P07451 1/20 0.43
▸ CA4 P22748 1/20 0.43
▸ CA6 P23280 1/20 0.43
▸ CA7 P43166 1/20 0.43
▸ CA9 Q16790 1/20 0.43

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
SCHEMBL5106446 0.97 MAOB (0.50) ALDH1A1MAOBHPGDSMN1; SMN2HTT
SCHEMBL4067770 0.97 MDM2 (0.50) ALDH1A1MAOBHPGDSMN1; SMN2HTT
SCHEMBL317833 0.95 MAOB (0.52) ALDH1A1MAOB
SCHEMBL8749655 0.95 MAOB (0.52) ALDH1A1MAOB
SCHEMBL4070043 0.93 ALDH1A1 (0.49) ALDH1A1MAOBHPGDSMN1; SMN2HTT
SCHEMBL5449064 0.93 MDM2 (0.52) ALDH1A1MAOBHPGDSMN1; SMN2HTT
SCHEMBL13191485 0.90 ALDH1A1 (0.67) ALDH1A1MAOBHPGDSMN1; SMN2HTT
SCHEMBL4059477 0.90 ALDH1A1 (0.67) ALDH1A1MAOBERN1TDP1L3MBTL1
SCHEMBL15189007 0.89 ALDH1A1 (0.49) ALDH1A1MAOBMDM2ERN1L3MBTL1
SCHEMBL1790721 0.88 TUBB1 (0.50) ALDH1A1HPGDSMN1; SMN2HTTERN1

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170326104-A1 IRE-1ALPHA INHIBITORS FOSUN ORINOVE PHARMATECH, INC. (CN) 2017-11-16 — — US disclosed
US-9693992-B2 IRE-1α inhibitors MANNKIND CORPORATION (US) 2017-07-04 — — US disclosed
US-20160096795-A1 COMPOUNDS AND METHODS FOR PREPARATION OF DIARYLPROPANES UNIGEN INC (US) 2016-04-07 — — US disclosed
US-9278915-B2 Agonists of GPR40 CONNEXIOS LIFE SCIENCES PVT LTD (IN) 2016-03-08 — — US disclosed
US-9045405-B2 Compounds and methods for preparation of diarylpropanes UNIGEN, INC. (US) 2015-06-02 — — US disclosed
US-9040714-B2 IRE-1α inhibitors MANNKIND CORPORATION (US) 2015-05-26 — — US disclosed
US-20150141424-A1 IRE-1alpha INHIBITORS FOSUN ORINOVE PHARMATECH, INC. (CN) 2015-05-21 — — US disclosed
US-20140235899-A1 COMPOUNDS AND METHODS FOR PREPARATION OF DIARYLPROPANES UNIGEN, INC. (US) 2014-08-21 — — US disclosed
US-20130237571-A1 AGONISTS OF GPR40 Conexios Life Sciences PVT. LTD. (IN) 2013-09-12 — — US disclosed
US-20130116247-A1 IRE-1alpha INHIBITORS MANNKIND CORPORATION (US) 2013-05-09 — — US disclosed
CN-1269818-C Lactam compounds and pharmaceutical use thereof AJINOMOTO KK (JP) 2006-08-16 — — CN disclosed
CN-1487940-A Lactam compounds and pharmaceutical use thereof ֮����ʽ���� 2004-04-07 — — CN disclosed
US-20040048847-A1 Lactam compounds and pharmaceutical use thereof AJINOMOTO CO. INC (JP) 2004-03-11 — — US disclosed
EP-1346993-A1 LACTAM COMPOUNDS AND MEDICINAL USE THEREOF Ajinomoto Co., Inc. (JP) 2003-09-24 — — EP disclosed
US-5723253-A PHOTOSENSITIVITY FOR LITHOGRAPHIC PRINTING PLATES KONICA CORPORATION (JP) 1998-03-03 — — US disclosed
EP-0549339-B1 Photosensitive composition MITSUBISHI CHEM CORP (JP) 1997-05-14 — — EP disclosed
EP-0716344-A1 Light-sensitive composition and light-sensitive lithographic printing plate using the same KONICA CORPORATION (JP) 1996-06-12 — — EP disclosed
US-5338643-A O-quinonediazide photosensitive composition containing s-triazine compound, novolak resin, vinyl-based polymer and a dye MITSUBISHI KASEI CORPORATION (JP) 1994-08-16 — — US disclosed
EP-0549339-A1 Photosensitive composition Mitsubishi Chemical Corporation (JP) 1993-06-30 — — EP disclosed
US-4024274-A Benzylamine derivatives and process for preparing them HOECHST AKTIENGESELLSCHAFT (DT) 1977-05-17 — — 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 (7 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-20130237571-A1 AGONISTS OF GPR40 GPR65, GPR55, GPR68 ALDH1A1 2410/4885MAOB 2832/4885HPGD 1276/4885
US-20150141424-A1 IRE-1alpha INHIBITORS ERN1, XBP1, ERN2 ALDH1A1 2024/4885MAOB 4513/4885HPGD 649/4885
US-20170326104-A1 IRE-1ALPHA INHIBITORS ERN1, XBP1, ERN2 ALDH1A1 2024/4885MAOB 4513/4885HPGD 649/4885
US-20160096795-A1 COMPOUNDS AND METHODS FOR PREPARATION OF DIARYLPROPANES DDT, QDPR, NPY1R ALDH1A1 2064/4885MAOB 96/4885HPGD 692/4885
US-20040048847-A1 Lactam compounds and pharmaceutical use thereof SLC2A4, SLC2A8, SLC2A1 ALDH1A1 911/4885MAOB 2230/4885HPGD 1877/4885
US-20130116247-A1 IRE-1alpha INHIBITORS ERN1, XBP1, ERN2 ALDH1A1 2036/4885MAOB 4493/4885HPGD 706/4885
US-20140235899-A1 COMPOUNDS AND METHODS FOR PREPARATION OF DIARYLPROPANES DDT, QDPR, NPY1R ALDH1A1 2064/4885MAOB 96/4885HPGD 692/4885

“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.