SCHEMBL11954845

SCHEMBL11954845

CC1=C(c2ccc(CO)cc2)C(c2ccccc2)OC1=O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.38
KMT2A Q03164 6/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TSHR P16473 1/20 0.36
KDM4E B2RXH2 5/20 0.35
TDP1 Q9NUW8 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
CA2 P00918 1/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
LTA4H P09960 1/20 0.33
PTGS2 P35354 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
BAZ2B Q9UIF8 1/20 0.33
BAZ2A Q9UIF9 1/20 0.33

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
SCHEMBL11895442 0.85 ALDH1A1 (0.46) ALDH1A1KMT2ASMN1; SMN2KDM4EL3MBTL1
SCHEMBL11894735 0.85 ALDH1A1 (0.46) ALDH1A1KMT2ASMN1; SMN2KDM4EL3MBTL1
SCHEMBL11954841 0.83 ALDH1A1 (0.43) ALDH1A1KMT2ASMN1; SMN2KDM4EPOLB
SCHEMBL11895545 0.78 MAPT (0.44) ALDH1A1SMN1; SMN2TSHRKDM4EMAPT
SCHEMBL11894720 0.78 MAPT (0.44) ALDH1A1SMN1; SMN2TSHRKDM4EMAPT
SCHEMBL7738890 0.72 ALDH1A1 (0.50) ALDH1A1KMT2ASMN1; SMN2KDM4EL3MBTL1
SCHEMBL7564280 0.70 ALDH1A1 (0.48) ALDH1A1KMT2ASMN1; SMN2TSHRKDM4E
SCHEMBL6103062 0.68 ALDH1A1 (0.62) ALDH1A1KMT2ASMN1; SMN2KDM4ETDP1
SCHEMBL13725810 0.67 CACNA1D (0.44) ALDH1A1SMN1; SMN2TSHRKDM4EMAPT
SCHEMBL11895543 0.67 NR3C1 (0.47) ALDH1A1KDM4ETDP1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9006491-B2 Structure and method for synthesizing and using dialkyl(2,4,6- or 2,6-alkoxyphenyl)phosphine and its tetrafluoroborate ZHEJIANG UNIVERSITY (CN) 2015-04-14 US disclosed
US-20120197030-A1 STRUCTURE AND METHOD FOR SYNTHESIZING AND USING DIALKYL(2,4,6- OR 2,6-ALKOXYPHENYL)PHOSPHINE AND ITS TETRAFLUOROBORATE ZHEJIANG UNIVERSITY (CN) 2012-08-02 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-20120197030-A1 STRUCTURE AND METHOD FOR SYNTHESIZING AND USING DIALKYL(2,4,6- OR 2,6-ALKOXYPHENYL)PHOSPHINE AND ITS TETRAFLUOROBORATE PTK6, DCLK2, ERBB2 ALDH1A1 2903/4885KMT2A 1707/4885SMN1; SMN2 4433/4885

“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.