SCHEMBL9495250

SCHEMBL9495250

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
CYP1A2 P05177 1/20 0.56
THRB P10828 1/20 0.56
FFAR3 O14843 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
NAALAD2 Q9Y3Q0 1/20 0.43
AKR1B1 P15121 1/20 0.39
LMNA P02545 2/20 0.38
ALKBH5 Q6P6C2 1/20 0.38
SUCNR1 Q9BXA5 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
GPR84 Q9NQS5 7/20 0.37
PPARG P37231 7/20 0.37
PPARD Q03181 7/20 0.37
PPARA Q07869 7/20 0.37

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
SCHEMBL83753 0.95 ALDH1A1 (0.56) ALDH1A1MEN1KMT2ACYP1A2THRB
SCHEMBL9540348 0.93 ALDH1A1 (0.50) ALDH1A1MEN1KMT2ACYP1A2THRB
Hydrochloric Acid SCHEMBL27709847 0.93 ALDH1A1 (0.54) ALDH1A1MEN1KMT2ACYP1A2THRB
SCHEMBL5795368 0.91 ALDH1A1 (0.48) ALDH1A1MEN1KMT2ACYP1A2THRB
SCHEMBL2254508 0.89 ALDH1A1 (0.47) ALDH1A1MEN1KMT2ACYP1A2THRB
SCHEMBL2232187 0.88 AKR1B1 (0.50) ALDH1A1MEN1KMT2ACYP1A2THRB
SCHEMBL2139743 0.83 ALDH1A1 (0.48) ALDH1A1MEN1KMT2ACYP1A2THRB
SCHEMBL41106 0.81 ALDH1A1 (0.47) ALDH1A1MEN1KMT2ACYP1A2THRB
SCHEMBL2231185 0.81 AKR1B1 (0.46) ALDH1A1MEN1KMT2ACYP1A2THRB
SCHEMBL30638812 0.79 AKR1B1 (0.50) ALDH1A1MEN1KMT2ACYP1A2THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109906215-B Continuous production of 2-methylene alkanals OQ化学有限责任公司 2022-05-06 CN disclosed
US-20190218166-A1 Continuous Production Method for 2-Methylene Alkanals OQ CHEMICALS GMBH (DE) 2019-07-18 US disclosed
EP-3301084-B1 CONTINUOUS PROCESS FOR PRODUCING 2-METHYLENE ALDEHYDES OXEA GMBH (DE) 2018-12-12 EP disclosed
EP-3301084-A1 CONTINUOUS PROCESS FOR PRODUCING 2-METHYLENE ALDEHYDES OXEA GmbH (DE) 2018-04-04 EP disclosed
EP-0373443-B1 PROCESS FOR OBTAINING 2-ALKYL-BRANCHED ALKANALS FROM ALKANAL MIXTURES BASF Aktiengesellschaft (DE) 1993-03-03 EP disclosed
US-5026920-A Obtaining alkanals having a 2-alkyl branch from alkanal mixtures BASF AKTIENGESELLSCHAFT (DE) 1991-06-25 US disclosed
EP-0373443-A2 Process for obtaining 2-alkyl-branched alkanals from alkanal mixtures BASF Aktiengesellschaft (DE) 1990-06-20 EP disclosed
EP-0058927-B1 PROCESS FOR THE PREPARATION OF ALPHA-ALKYL ACROLEINES BASF Aktiengesellschaft (DE) 1984-05-30 EP disclosed
US-4408079-A Preparation of alpha-alkylacroleins BASF AKTIENGESELLSCHAFT (DE) 1983-10-04 US disclosed
EP-0058927-A1 Process for the preparation of alpha-alkyl acroleines BASF Aktiengesellschaft (DE) 1982-09-01 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 (1 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-20190218166-A1 Continuous Production Method for 2-Methylene Alkanals ADH5, ALKBH3, HAO2 ALDH1A1 103/4885MEN1 2499/4885KMT2A 111/4885

“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.