SCHEMBL3383700

SCHEMBL3383700

C=C(CCC(=O)O)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.61
ALDH1A1 P00352 3/20 0.55
GAA P10253 1/20 0.55
CYP2C19 P33261 1/20 0.55
HDAC3 O15379 2/20 0.50
HDAC4 P56524 2/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC7 Q8WUI4 2/20 0.50
HDAC2 Q92769 2/20 0.50
HDAC10 Q969S8 2/20 0.50
HDAC11 Q96DB2 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
HDAC9 Q9UKV0 2/20 0.50
HDAC5 Q9UQL6 2/20 0.50
LMNA P02545 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
FFAR1 O14842 2/20 0.48
CYP1A2 P05177 1/20 0.48
RAB9A P51151 1/20 0.48

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
SCHEMBL29166026 0.92 NR4A2 (0.53) NR4A2ALDH1A1GAACYP2C19HDAC3
SCHEMBL7990104 0.88 MAOA (0.56) NR4A2ALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL3383369 0.87 HDAC3 (0.57) NR4A2ALDH1A1GAACYP2C19HDAC3
SCHEMBL3386410 0.87 HDAC1 (0.62) NR4A2ALDH1A1GAACYP2C19HDAC3
SCHEMBL14565162 0.83 ALDH1A1 (0.50) NR4A2ALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL26463548 0.83 MAOA (0.48) NR4A2ALDH1A1GAACYP2C19LMNA
SCHEMBL5924614 0.83 ALDH1A1 (0.44) NR4A2ALDH1A1GAACYP2C19LMNA
SCHEMBL28966305 0.81 CES2 (0.46) NR4A2ALDH1A1HDAC3HDAC4HDAC1
SCHEMBL28966302 0.81 KMT2A (0.66) ALDH1A1GAALMNASMN1; SMN2FFAR1
SCHEMBL31332617 0.79 KMT2A (0.59) NR4A2ALDH1A1SMN1; SMN2RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115786940-A Gamma-sulfonyl lactonization derivative and preparation method thereof 江西师范大学 2023-03-14 CN claimed
CN-113929806-B Oil displacement agent for supercritical carbon dioxide displacement and preparation method and application thereof 山东德仕化工有限公司 2022-03-08 CN claimed
CN-113929806-A Oil displacement agent for supercritical carbon dioxide displacement and preparation method and application thereof 山东德仕化工有限公司 2022-01-14 CN claimed
EP-1329497-B1 Utilization of unsaturated esters as perfuming ingredients FIRMENICH & CIE (CH) 2010-12-01 EP claimed
US-4990580-A Process for production of styrene polymers IDEMITSU KOSAN COMPANY LIMITED (JP) 1991-02-05 US claimed
CN-118359658-A Synthesis method of germanium substituted gamma-lactone compound 滁州学院 2024-07-19 CN disclosed
CN-115786940-A Gamma-sulfonyl lactonization derivative and preparation method thereof 江西师范大学 2023-03-14 CN disclosed
CN-113929806-B Oil displacement agent for supercritical carbon dioxide displacement and preparation method and application thereof 山东德仕化工有限公司 2022-03-08 CN disclosed
CN-111848460-B N-thioaryl benzenesulfonylimine and preparation method and application thereof 上海交通大学 2022-02-22 CN disclosed
CN-113929806-A Oil displacement agent for supercritical carbon dioxide displacement and preparation method and application thereof 山东德仕化工有限公司 2022-01-14 CN disclosed
CN-111217733-B N-thiocyanobenzenesulfonylimide and preparation method and application thereof 上海交通大学 2021-12-31 CN disclosed
CN-111848460-A N-thioaryl benzenesulfonylimine and preparation method and application thereof 上海交通大学 2020-10-30 CN disclosed
WO-2007111994-A2 COMPOUNDS AND METHODS FOR TREATMENT OF DISORDERS ASSOCIATED WITH ER STRESS SYNDEXA PHARMACEUTICALS CORPORATION (US) 2007-10-04 WO disclosed
US-20070078188-A1 Compositions comprising and methods of using norfluoxetine CURRIE MARK G 2007-04-05 US disclosed
US-20060122184-A1 Cyanomethyl derivatives as cysteine protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2006-06-08 US disclosed
US-20050288336-A1 Cysteine protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-12-29 US disclosed
EP-1569954-A1 CYANOMETHYL DERIVATIVES AS CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2005-09-07 EP disclosed
EP-1503997-A1 CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2005-02-09 EP disclosed
WO-2004052921-A1 CYANOMETHYL DERIVATIVES AS CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-06-24 WO disclosed
WO-2003097617-A1 CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2003-11-27 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 (3 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-20060122184-A1 Cyanomethyl derivatives as cysteine protease inhibitors CTSF, CTSB, CTSK NR4A2 4834/4885ALDH1A1 3662/4885GAA 76/4885
US-20050288336-A1 Cysteine protease inhibitors CTSF, CTSS, CTSB NR4A2 4848/4885ALDH1A1 2872/4885GAA 88/4885
US-20070078188-A1 Compositions comprising and methods of using norfluoxetine ALOX5, NGF, PTGER4 NR4A2 1067/4885ALDH1A1 337/4885GAA 2962/4885

“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.