SCHEMBL19265441

SCHEMBL19265441

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

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
TSHR P16473 1/20 0.48
RELA Q04206 1/20 0.34
PSMD14 O00487 1/20 0.32
LMNA P02545 1/20 0.32
TDP1 Q9NUW8 2/20 0.31
CYP3A4 P08684 1/20 0.31
KDM4E B2RXH2 1/20 0.30
GLA P06280 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL19341844 0.83 ALDH1A1 (0.46) ALDH1A1TSHRRELALMNATDP1
SCHEMBL16755617 0.79 TDP1 (0.43) ALDH1A1TDP1CYP3A4KDM4EL3MBTL1
SCHEMBL20025824 0.74 CYP2C19 (0.44) ALDH1A1TSHRLMNATDP1CYP3A4
SCHEMBL1177035 0.73 ALDH1A1 (0.59) ALDH1A1TSHRRELAPSMD14LMNA
SCHEMBL8035043 0.73 ALDH1A1 (0.59) ALDH1A1TSHRPSMD14LMNATDP1
SCHEMBL12114947 0.73 ALDH1A1 (0.59) ALDH1A1TSHRRELAPSMD14LMNA
SCHEMBL99027 0.73 ALDH1A1 (0.59) ALDH1A1TSHRRELAPSMD14LMNA
SCHEMBL98719 0.73 ALDH1A1 (0.59) ALDH1A1TSHRPSMD14LMNATDP1
SCHEMBL4112398 0.73 ALDH1A1 (0.59) ALDH1A1TSHRPSMD14LMNATDP1
SCHEMBL172194 0.73 ALDH1A1 (0.59) ALDH1A1TSHRRELAPSMD14LMNA

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-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
EP-3208284-A1 LIGAND COMPOUND, CATALYST SYSTEM FOR OLEFIN OLIGOMERIZATION, AND METHOD FOR OLIGOMERIZING OLEFINS USING THE SAME LG Chem, Ltd. (KR) 2017-08-23 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-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.