SCHEMBL9515104

SCHEMBL9515104

C=C(C=O)Cc1ccc(C)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTBP2 P56545 1/20 0.43
RAB9A P51151 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
NPC1 O15118 2/20 0.42
HPGD P15428 4/20 0.41
TDP1 Q9NUW8 1/20 0.41
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
LMNA P02545 1/20 0.39
IDO1 P14902 1/20 0.38
CYP2A6 P11509 1/20 0.38
CYP2C19 P33261 1/20 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
SCHEMBL9513630 0.83 ALDH1A1 (0.42) HPGDSMN1; SMN2ALDH1A1LMNACYP2A6
SCHEMBL12802353 0.81 CTBP2 (0.40) CTBP2RAB9AL3MBTL1NPC1HPGD
SCHEMBL9513564 0.79 PIK3CA (0.44) CTBP2RAB9AL3MBTL1NPC1HPGD
SCHEMBL1593360 0.79 SMN1; SMN2 (0.47) CTBP2RAB9ATDP1KMT2ASMN1; SMN2
SCHEMBL9516170 0.79 TGM2 (0.42) RAB9AL3MBTL1NPC1HPGDKMT2A
SCHEMBL17615222 0.79 LMNA (0.39) L3MBTL1KMT2AMEN1ALDH1A1GAA
SCHEMBL9817167 0.79 HTT (0.53) CTBP2NPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL17599981 0.79 ALDH1A1 (0.47) RAB9ANPC1HPGDTDP1KMT2A
SCHEMBL9513745 0.79 TYR (0.44) RAB9AL3MBTL1NPC1KMT2AMEN1
SCHEMBL3485127 0.78 CES1 (0.50) CTBP2L3MBTL1KMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160083409-A1 METHOD FOR THE PREPARATION OF alpha-SUBSTITUTED ACRYL ALDEHYDES COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2016-03-24 US disclosed
EP-0274379-B1 PROCESS FOR PREPARING PYRIDINE-2,3-DICARBOXYLIC ACID COMPOUNDS SUGAI CHEMICAL INDUSTRY CO., LTD. (JP) 1993-06-30 EP disclosed
US-4973695-A FROM UNSATURATED ALDEHYDE OR KETONE WITH OXODIESTER SUGAI CHEMICAL IND. CO., LTD. (JP) 1990-11-27 US disclosed
EP-0274379-A2 Process for preparing pyridine-2,3-dicarboxylic acid compounds SUGAI CHEMICAL INDUSTRY CO., LTD. (JP) 1988-07-13 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-20160083409-A1 METHOD FOR THE PREPARATION OF alpha-SUBSTITUTED ACRYL ALDEHYDES ALDH1A1, ALDH3A1, ADH1A CTBP2 3898/4885RAB9A 3403/4885L3MBTL1 3539/4885

“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.