SCHEMBL1101944

SCHEMBL1101944

C=CCCC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HDAC6 Q9UBN7 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
FAAH O00519 3/20 0.36
MGLL Q99685 2/20 0.36
MAPT P10636 2/20 0.34
ABCC4 O15439 1/20 0.34
STING1 Q86WV6 1/20 0.33
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
EPHX2 P34913 1/20 0.32
CTSK P43235 2/20 0.32
CYP2D6 P10635 1/20 0.32
DGAT1 O75907 1/20 0.31
USP2 O75604 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL637189 0.88 ALDH1A1 (0.53) LMNAALDH1A1HDAC6HDAC3HDAC1
SCHEMBL14984822 0.86 ALDH1A1 (0.61) LMNAALDH1A1HDAC6HDAC3HDAC1
SCHEMBL30822463 0.84 ALDH1A1 (0.65) LMNAALDH1A1HDAC6HDAC3HDAC1
SCHEMBL31240249 0.84 ALDH1A1 (0.65) LMNAALDH1A1HDAC6HDAC3HDAC1
SCHEMBL12544697 0.84 ALDH1A1 (0.65) LMNAALDH1A1HDAC6HDAC3HDAC1
SCHEMBL8951105 0.84 ALDH1A1 (0.65) LMNAALDH1A1HDAC6HDAC3HDAC1
SCHEMBL12543741 0.84 ALDH1A1 (0.65) LMNAALDH1A1HDAC6HDAC3HDAC1
SCHEMBL21068995 0.83 ALDH1A1 (0.37) LMNAALDH1A1HDAC6HDAC3HDAC1
SCHEMBL6862125 0.80 ALDH1A1 (0.39) LMNAALDH1A1FAAHMGLLMAPT
SCHEMBL4583910 0.80 HDAC6 (0.42) ALDH1A1HDAC6HDAC3HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119630672-A Camptothecin derivative and conjugate thereof, and preparation method and medical application thereof 一线医药(杭州)有限公司 2025-03-14 CN disclosed
CN-118493978-B Waterproof breathable polyester fiber fabric and production process thereof 安徽金弘润新材料科技有限公司 2024-09-10 CN disclosed
CN-118493978-A Waterproof breathable polyester fiber fabric and production process thereof 安徽金弘润新材料科技有限公司 2024-08-16 CN disclosed
CN-107973809-B Macrocyclic compounds as factor XIA inhibitors 百时美施贵宝公司 2023-06-30 CN disclosed
CN-111378142-A Force-induced response supramolecular polymer 翁秋梅 2020-07-07 CN disclosed
US-20180177746-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. 2018-06-28 US disclosed
EP-2627178-B1 QUINAZOLINONE-TYPE COMPOUNDS AS CRTH2 ANTAGONISTS MERCK SHARP & DOHME (US) 2018-05-02 EP disclosed
US-9932309-B2 2-oxo-3,4-dihydropyridine-5-carboxylates and their use UNIVERSITE DE LILLE 2 DROIT ET SANTE (FR) 2018-04-03 US disclosed
US-9856265-B2 Macrocyclic inhibitors of hepatitis C virus JANSSEN SCIENCES IRELAND UC (IE) 2018-01-02 US disclosed
CN-104995257-B Hardening prevents powered organopolysiloxane composition and anti-band voltolisation silica epithelium 信越聚合物株式会社 2017-11-24 CN disclosed
US-20050261325-A1 Especially N-(3-carbonylamino3-substituted-propyl)spiro(indene- or indane-2,4'-piperidine derivatives, useful in treatment of inflammatory and immunoregulatory disorders, allergic diseases, atopic conditions, autoimmune disorders and atherosclerosis MERCK SHARP & DOHME CORP. 2005-11-24 US disclosed
EP-1558250-A1 GAMMA-AMINOAMIDE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Merck & Co., Inc. (US) 2005-08-03 EP disclosed
WO-2004041279-A1 GAMMA-AMINOAMIDE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2004-05-21 WO disclosed
EP-0548774-B1 Process for producing a lactone or an ester SUMITOMO CHEMICAL CO (JP) 2000-03-15 EP disclosed
CN-1211232-A Benzamidine derivatives substituted with amino acid and hydroxy acid derivatives and their use as anticoagulants BERLEX LAB (US) 1999-03-17 CN disclosed
US-5854410-A Oligonucleoside cleavage compounds and therapies GENTA INCORPORATED (US) 1998-12-29 US disclosed
WO-1995026733-A1 OLIGONUCLEOSIDE CLEAVAGE COMPOUNDS AND THERAPIES GENTA INCORPORATED (US) 1995-10-12 WO disclosed
US-5405974-A Reacting a ketone, oxygen, an aromatic aldehyde using an aromatic solvent SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-04-11 US disclosed
EP-0548774-A1 Process for producing a lactone or an ester SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-06-30 EP disclosed
EP-0425831-A2 Contact lens NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1991-05-08 EP 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-20050261325-A1 Especially N-(3-carbonylamino3-substituted-propyl)spiro(indene- or indane-2,4'-piperidine derivatives, useful in treatment of inflammatory and immunoregulatory disorders, allergic diseases, atopic conditions, autoimmune disorders and atherosclerosis CCR1, CCR3, CCR2 LMNA 3129/4885ALDH1A1 1345/4885HDAC6 1344/4885
US-20180177746-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER LMNA 565/4885ALDH1A1 140/4885HDAC6 1207/4885

“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.