SCHEMBL5144739

SCHEMBL5144739

CCN(CC)C(C)(CC)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
TSHR P16473 2/20 0.35
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
ALDH2 P05091 1/20 0.32
LMNA P02545 1/20 0.32
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
THRB P10828 1/20 0.31
KMT2A Q03164 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP8 P22894 1/20 0.31
FFAR3 O14843 1/20 0.30

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
SCHEMBL27864704 0.80 ALDH1A1 (0.30) ALDH1A1
SCHEMBL8584570 0.79 ALDH1A1 (0.33) ALDH1A1TSHRCYP2D6CYP2C19HIF1A
SCHEMBL11286647 0.79 TSHR (0.38) ALDH1A1TSHRCYP2D6CYP2C19HIF1A
SCHEMBL3457363 0.77 TSHR (0.36) ALDH1A1TSHRCYP2D6CYP2C19HIF1A
SCHEMBL10768836 0.77 TSHR (0.36) ALDH1A1TSHRCYP2D6CYP2C19HIF1A
SCHEMBL6239457 0.77 TSHR (0.36) ALDH1A1TSHRCYP2D6CYP2C19HIF1A
SCHEMBL186681 0.77 TSHR (0.36) ALDH1A1TSHRCYP2D6CYP2C19HIF1A
SCHEMBL28144948 0.76 MMP1 (0.33) ALDH1A1TSHRCYP2D6CYP2C19HIF1A
SCHEMBL11552683 0.75 TSHR (0.35) ALDH1A1TSHRCYP2D6CYP2C19HIF1A
SCHEMBL31193687 0.75 TSHR (0.35) ALDH1A1TSHRCYP2D6CYP2C19HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11999758-B2 Inhibitors of the YAP/TAZ-TEAD interaction and their use in the treatment of cancer INVENTIVA (FR) 2024-06-04 US disclosed
CN-114958091-B recording method and ink jet recording apparatus 精工爱普生株式会社 2024-03-26 CN disclosed
CN-117757303-A Inkjet ink composition and recording method 精工爱普生株式会社 2024-03-26 CN disclosed
CN-117341373-A Recording method and recording device 精工爱普生株式会社 2024-01-05 CN disclosed
CN-114316681-B Ink container and ink composition 精工爱普生株式会社 2024-01-02 CN disclosed
CN-114683697-B Recording method and recording device 精工爱普生株式会社 2023-11-14 CN disclosed
CN-114058213-B White ink composition and ink jet recording method 精工爱普生株式会社 2023-05-12 CN disclosed
CN-112874159-B Ink jet recording method and ink jet recording apparatus 精工爱普生株式会社 2023-05-12 CN disclosed
CN-110949030-B Ink jet recording method and ink jet recording apparatus 精工爱普生株式会社 2023-05-02 CN disclosed
CN-115612349-A Inkjet ink composition and recording method 精工爱普生株式会社 2023-01-17 CN disclosed
WO-2004040002-A2 ARYL PHOSPHATE DERIVATIVES OF d4T HAVING ACTIVITY AGAINST RESISTANT HIV STRAINS PARKER HUGHES INSTITUTE (US) 2004-05-13 WO disclosed
US-20040087549-A1 Aryl phosphate derivatives of d4T having activity against resistant HIV strains UCKUN, FATIH M. 2004-05-06 US disclosed
US-20040077607-A1 Aryl phosphate derivatives of d4T with potent anti-viral activity against hemorrhagic fever viruses PARKER HUGHES INSTITUTE 2004-04-22 US disclosed
US-20030236218-A1 Aryl phosphate derivatives of d4T with selective activity against adenovirus and HIV PARKER HUGHES INSTITUTE 2003-12-25 US disclosed
WO-2003105863-A1 ARYL PHOSPHATE DERIVATIVES WITH SELECTIVE ACTIVITY AGAINST ADENOVIRUS AND HIV PARKER HUGHES INSTITUTE (US) 2003-12-24 WO disclosed
US-6482805-B2 AZT derivatives exhibiting spermicidal and anti-viral activity PARKER HUGHES INSTITUTE 2002-11-19 US disclosed
US-6465641-B1 METHOD INCLUDES CONTACTING PHOSPHOROUS OXYCHLORIDE WITH A HALOPHENYL MOIETY FOLLOWED BY CONTACTING THE RESULTING HALOPHENYLPHOSPHORODICHLORIDATE WITH A CARBOXY-PROTECTED AMINO ACID AND FINALLY CONTACTING THE RESULTING HALOPHENYLCARBOXY PARKER HUGHES INSTITUTE 2002-10-15 US disclosed
US-20020137726-A1 Aryl phosphate derivatives of D4T with potent anti-viral activity PARKER HUGHES INSTITUTE 2002-09-26 US disclosed
US-20020025922-A1 AZT derivatives exhibiting spermicidal and anti-viral activity UCKUN, FATIH M. 2002-02-28 US disclosed
WO-2000056750-A1 ONE POT SYNTHESIS OF 5'-HYDROXY PHOSPHORYLATED NUCLEOSIDE DERIVATIVES, AND COMPOUNDS FORMED THEREBY PARKER HUGHES INSTITUTE (US) 2000-09-28 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 (6 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-20040087549-A1 Aryl phosphate derivatives of d4T having activity against resistant HIV strains TYMP, PNP, APRT ALDH1A1 1280/4885TSHR 3591/4885CYP2D6 587/4885
US-11999758-B2 Inhibitors of the YAP/TAZ-TEAD interaction and their use in the treatment of cancer YAP1, TEAD2, YES1 ALDH1A1 2232/4885TSHR 408/4885CYP2D6 2280/4885
US-20040077607-A1 Aryl phosphate derivatives of d4T with potent anti-viral activity against hemorrhagic fever viruses PNP, GNPAT, AASDHPPT ALDH1A1 1584/4885TSHR 2806/4885CYP2D6 810/4885
US-20020025922-A1 AZT derivatives exhibiting spermicidal and anti-viral activity TYMP, DUT, UNG ALDH1A1 919/4885TSHR 3274/4885CYP2D6 959/4885
US-20020137726-A1 Aryl phosphate derivatives of D4T with potent anti-viral activity TYMP, PNP, GART ALDH1A1 1996/4885TSHR 2983/4885CYP2D6 257/4885
US-20030236218-A1 Aryl phosphate derivatives of d4T with selective activity against adenovirus and HIV APRT, AASDHPPT, GNPAT ALDH1A1 1540/4885TSHR 3543/4885CYP2D6 330/4885

“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.