SCHEMBL15840935

SCHEMBL15840935

CC12CCC(C1)C(C)(C)C(=O)C2C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TAS1R3 Q7RTX0 2/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
P2RX7 Q99572 1/20 0.33
TSHR P16473 1/20 0.32
GPR84 Q9NQS5 1/20 0.32
APLNR P35414 1/20 0.31
TAS1R2 Q8TE23 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL9577220 0.72
SCHEMBL6552311 0.67 CYP3A4 (0.43) CYP3A4CYP2D6CYP2C9CYP2C19TDP1
SCHEMBL20374820 0.65
(-)-Fenchone SCHEMBL7997210 0.63 MEN1 (0.38) P2RX7TSHRGPR84MEN1ALDH1A1
Fenchone SCHEMBL856607 0.63 MEN1 (0.38) P2RX7TSHRGPR84MEN1ALDH1A1
Fenchone SCHEMBL57584 0.63 MEN1 (0.38) P2RX7TSHRGPR84MEN1ALDH1A1
(L)-Fenchone SCHEMBL18221219 0.63 MEN1 (0.38) P2RX7TSHRGPR84MEN1ALDH1A1
Fenchone SCHEMBL527930 0.63 MEN1 (0.38) P2RX7TSHRGPR84MEN1ALDH1A1
(+)-Fenchone SCHEMBL856608 0.63 MEN1 (0.38) P2RX7TSHRGPR84MEN1ALDH1A1
Fenchone SCHEMBL15047583 0.63 MEN1 (0.38) P2RX7TSHRGPR84MEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2935291-B1 IRIDIUM COMPLEXES USED IN OLIGOMERS, POLYMERS OR DENDRIMERS IN ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2019-10-16 EP disclosed
EP-2935292-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-04-10 EP disclosed
US-20150349277-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2015-12-03 US disclosed
US-20150333280-A1 Metal Complexes MERCK PATENT GMBH (DE) 2015-11-19 US disclosed
US-20150333280-A1 Metal Complexes MERCK PATENT GMBH (DE) 2015-11-19 US disclosed
WO-2014094961-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2014-06-26 WO disclosed
WO-2014094960-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2014-06-26 WO 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-20150333280-A1 Metal Complexes SOD1, AP1M1, AP3M1 CYP3A4 2252/4885CYP2D6 2496/4885CYP2C9 2236/4885
US-20150349277-A1 METAL COMPLEXES SOD1, AP1M1, AP3M1 CYP3A4 2252/4885CYP2D6 2496/4885CYP2C9 2236/4885

“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.