SCHEMBL1494545

SCHEMBL1494545

CCCCCOc1[c]nccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.40
TLR8 Q9NR97 2/20 0.39
CYP2D6 P10635 3/20 0.38
CYP3A4 P08684 3/20 0.38
CYP19A1 P11511 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
LMNA P02545 2/20 0.38
NR5A1 Q13285 1/20 0.37
NFKB1 P19838 2/20 0.37
NFKB2 Q00653 2/20 0.37
RELA Q04206 2/20 0.37
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TSHR P16473 2/20 0.37
FAAH O00519 1/20 0.36
MGLL Q99685 1/20 0.36
PDE5A O76074 2/20 0.36

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
SCHEMBL1494281 0.98 LMNA (0.40) LTA4HTLR8CYP2D6CYP3A4CYP19A1
SCHEMBL1494289 0.98 LMNA (0.40) LTA4HTLR8CYP2D6CYP3A4CYP19A1
SCHEMBL1494434 0.98 LMNA (0.40) LTA4HTLR8CYP2D6CYP3A4CYP19A1
SCHEMBL1494447 0.98 LMNA (0.40) LTA4HTLR8CYP2D6CYP3A4CYP19A1
SCHEMBL1494520 0.98 LMNA (0.40) LTA4HTLR8CYP2D6CYP3A4CYP19A1
SCHEMBL1494604 0.98 LMNA (0.40) LTA4HTLR8CYP2D6CYP3A4CYP19A1
SCHEMBL1494205 0.95 CYP2D6 (0.42) LTA4HTLR8CYP2D6CYP3A4CYP19A1
SCHEMBL1494518 0.89 NPC1 (0.38) LTA4HTLR8CYP2D6CYP3A4CYP19A1
SCHEMBL1036211 0.81
SCHEMBL933769 0.81 LSS (0.44) CYP2D6CYP3A4CYP2C9CYP2C19SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9048442-B2 Composition containing a metal complex and organic compound, and light-emitting element using said compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-06-02 US disclosed
EP-2305772-B1 COMPOSITION CONTAINING A METAL COMPLEX AND ORGANIC COMPOUND, AND LIGHT EMITTING ELEMENT USING SAID COMPOUND SUMITOMO CHEMICAL CO (JP) 2015-05-20 EP disclosed
US-8592544-B2 Polymeric compound containing metal complex residue and element comprising same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-11-26 US disclosed
US-8022072-B2 Azolylmethylidenehydrazine derivative and use thereof KAKEN PHARMACEUTICAL CO., LTD. (JP) 2011-09-20 US disclosed
US-20110124808-A1 POLYMERIC COMPOUND CONTAINING METAL COMPLEX RESIDUE AND ELEMENT COMPRISING SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-05-26 US disclosed
US-20110114890-A1 COMPOSITION CONTAINING A METAL COMPLEX AND ORGANIC COMPOUND, AND LIGHT-EMITTING ELEMENT USING SAID COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-05-19 US disclosed
EP-2305772-A1 COMPOSITION CONTAINING A METAL COMPLEX AND ORGANIC COMPOUND, AND LIGHT EMITTING ELEMENT USING SAID COMPOUND Sumitomo Chemical Company, Limited (JP) 2011-04-06 EP disclosed
EP-2298828-A1 POLYMERIC COMPOUND CONTAINING METAL COMPLEX RESIDUE AND ELEMENT COMPRISING SAME Sumitomo Chemical Company, Limited (JP) 2011-03-23 EP disclosed
US-20100190754-A1 AZOLYLMETHYLIDENEHYDRAZINE DERIVATIVE AND USE THEREOF KAKEN PHARMACEUTICAL CO., LTD. (JP) 2010-07-29 US disclosed
EP-2168951-A1 AZOLYLMETHYLENEHYDRAZINE DERIVATIVE AND USE THEREOF KAKEN PHARMACEUTICAL CO., LTD. (JP) 2010-03-31 EP disclosed
EP-0247381-B1 5-FLUROROURACIL DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-08-04 EP disclosed
US-5047521-A Anticarcinogenic agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-09-10 US disclosed
EP-0247381-A2 5-flurorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1987-12-02 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 (2 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-20110124808-A1 POLYMERIC COMPOUND CONTAINING METAL COMPLEX RESIDUE AND ELEMENT COMPRISING SAME ZRANB2, ZKSCAN2, SLC39A3 LTA4H 4797/4885TLR8 2477/4885CYP2D6 3889/4885
US-20100190754-A1 AZOLYLMETHYLIDENEHYDRAZINE DERIVATIVE AND USE THEREOF ARSA, AHR, HRH2 LTA4H 246/4885TLR8 304/4885CYP2D6 197/4885

“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.