SCHEMBL17345797

SCHEMBL17345797

c1ccc(P(c2ccccc2)N(c2ccc(Oc3ccc(N(P(c4ccccc4)c4ccccc4)P(c4ccccc4)c4ccccc4)cc3)cc2)P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 6/20 0.44
TSHR P16473 1/20 0.44
NR1H2 P55055 1/20 0.40
BAX Q07812 1/20 0.40
MAOA P21397 1/20 0.40
SRD5A2 P31213 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
PGR P06401 3/20 0.36
NR3C1 P04150 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 1/20 0.35
FFAR1 O14842 1/20 0.35
GSTP1 P09211 1/20 0.34
SOS1 Q07889 1/20 0.34

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
SCHEMBL17342247 0.91 LTA4H (0.39) LTA4HTSHRNR1H2BAXMAOA
SCHEMBL16755617 0.82 TDP1 (0.43)
SCHEMBL20025824 0.77 CYP2C19 (0.44) TSHRCA1CA2LMNA
SCHEMBL17345798 0.75 CALM1 (0.44) LTA4HTSHRCA1CA2LMNA
SCHEMBL21192565 0.73 TDP1 (0.53) TSHRMAOASMN1; SMN2LMNA
SCHEMBL21192566 0.73 TDP1 (0.53) TSHRMAOASMN1; SMN2LMNA
SCHEMBL19265441 0.72 ALDH1A1 (0.48) TSHRLMNA
SCHEMBL24829502 0.72 POLB (0.32)
SCHEMBL14938874 0.71 TDP1 (0.38)
SCHEMBL2316206 0.70 CYP3A4 (0.63) LTA4HTSHRNR1H2BAXMAOA

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-9562062-B2 Ligand compound, organic chromium compound, catalyst system for ethylene oligomerization, and method for ethylene oligomerization using the same LG CHEM, LTD (KR) 2017-02-07 US disclosed
US-20150361118-A1 LIGAND COMPOUND, CATALYST SYSTEM FOR OLEFIN OLIGOMERIZATION, AND METHOD FOR OLEFIN OLIGOMERIZATION USING THE SAME LG CHEM, LTD. (KR) 2015-12-17 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-20150361118-A1 LIGAND COMPOUND, CATALYST SYSTEM FOR OLEFIN OLIGOMERIZATION, AND METHOD FOR OLEFIN OLIGOMERIZATION USING THE SAME OXER1, OSTC, OR51E2 LTA4H 106/4885TSHR 3406/4885NR1H2 306/4885

“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.