SCHEMBL19341844

SCHEMBL19341844

C=Cc1ccc(N(C)P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.46
TSHR P16473 1/20 0.46
RELA Q04206 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.36
KDM4E B2RXH2 2/20 0.36
GLA P06280 1/20 0.36
KMT2A Q03164 6/20 0.33
MEN1 O00255 4/20 0.33
LMNA P02545 4/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
MAPK1 P28482 2/20 0.33
S1PR4 O95977 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HPGD P15428 1/20 0.33
S1PR1 P21453 1/20 0.33
CCR6 P51684 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TLR9 Q9NR96 1/20 0.33
HDAC8 Q9BY41 1/20 0.32
MAPT P10636 4/20 0.32

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
SCHEMBL19265441 0.83 ALDH1A1 (0.48) ALDH1A1TSHRRELAL3MBTL1KDM4E
SCHEMBL2574194 0.80 MEN1 (0.42) ALDH1A1TSHRRELAL3MBTL1KMT2A
SCHEMBL20021864 0.76 TSHR (0.46) ALDH1A1TSHRL3MBTL1LMNAMAPK1
SCHEMBL9832011 0.76 ALDH1A1 (0.54) ALDH1A1TSHRRELAL3MBTL1KDM4E
SCHEMBL11729000 0.75 APP (0.39) ALDH1A1TSHRRELAKMT2AMEN1
SCHEMBL11725710 0.75 TSHR (0.40) ALDH1A1TSHRL3MBTL1KDM4EKMT2A
Styrene SCHEMBL2862346 0.73 ALDH1A1 (0.78) ALDH1A1TSHRRELAL3MBTL1LMNA
SCHEMBL8035043 0.71 ALDH1A1 (0.59) ALDH1A1TSHRKDM4EKMT2AMEN1
SCHEMBL4112398 0.71 ALDH1A1 (0.59) ALDH1A1TSHRKDM4EKMT2AMEN1
SCHEMBL99027 0.71 ALDH1A1 (0.59) ALDH1A1TSHRRELAL3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170260305-A1 LIGAND COMPOUND, CATALYST SYSTEM FOR OLEFIN OLIGOMERIZATION, AND METHOD FOR OLIGOMERIZING OLEFINS USING THE SAME LG CHEM, LTD. (KR) 2017-09-14 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-20170260305-A1 LIGAND COMPOUND, CATALYST SYSTEM FOR OLEFIN OLIGOMERIZATION, AND METHOD FOR OLIGOMERIZING OLEFINS USING THE SAME OXER1, OSTC, OCIAD1 ALDH1A1 607/4885TSHR 3604/4885RELA 1918/4885

“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.