SCHEMBL17599982

SCHEMBL17599982

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
CYP2D6 P10635 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
CTSD P07339 1/20 0.42
POLB P06746 1/20 0.41
HSD11B1 P28845 1/20 0.40
HPGD P15428 1/20 0.39
SRC P12931 1/20 0.39
F2 P00734 1/20 0.39

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
SCHEMBL17615218 0.89 CNR1 (0.45) TDP1L3MBTL1CYP2D6HDAC3HDAC4
SCHEMBL17599985 0.84 ALDH1A1 (0.46) TDP1L3MBTL1HPGDMAPK1ALDH1A1
SCHEMBL17615227 0.84 ALDH1A1 (0.46) TDP1L3MBTL1HPGDMAPK1ALDH1A1
SCHEMBL17599932 0.84 ACP3 (0.53) L3MBTL1ALDH1A1KMT2AMAPTNPSR1
SCHEMBL17616407 0.84 ACP3 (0.53) L3MBTL1ALDH1A1KMT2AMAPTNPSR1
SCHEMBL17615223 0.83 CTSB (0.38) TDP1L3MBTL1CYP2D6HDAC3HDAC4
SCHEMBL17599986 0.82 KMT2A (0.41) TDP1ALDH1A1KMT2AMEN1CHRM1
SCHEMBL17616409 0.79 L3MBTL1 (0.47) TDP1L3MBTL1POLBCYP2C19LMNA
SCHEMBL17599973 0.79 MEN1 (0.46) POLBMAPK1ALDH1A1KMT2AMEN1
SCHEMBL17599963 0.79 L3MBTL1 (0.47) TDP1L3MBTL1POLBCYP2C19LMNA

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 claimed
US-20160083409-A1 METHOD FOR THE PREPARATION OF alpha-SUBSTITUTED ACRYL ALDEHYDES COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2016-03-24 US disclosed
US-20160083409-A1 METHOD FOR THE PREPARATION OF alpha-SUBSTITUTED ACRYL ALDEHYDES COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2016-03-24 US disclosed
US-20160083409-A1 METHOD FOR THE PREPARATION OF alpha-SUBSTITUTED ACRYL ALDEHYDES COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2016-03-24 US 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 TDP1 2846/4885L3MBTL1 3539/4885CYP2D6 554/4885

“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.