SCHEMBL3463680

SCHEMBL3463680

Cc1ccc2c(CC(C)C)ccc(O)c2n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.57
OPRK1 P41145 1/20 0.57
KDM4E B2RXH2 7/20 0.56
USP2 O75604 1/20 0.56
HPGD P15428 1/20 0.56
HSD17B10 Q99714 1/20 0.56
CTSB P07858 1/20 0.51
CTSH P09668 1/20 0.51
METAP2 P50579 1/20 0.42
GABRA1 P14867 2/20 0.41
GABRB2 P47870 2/20 0.41
RAB9A P51151 4/20 0.40
MAPT P10636 3/20 0.40
NPC1 O15118 3/20 0.40
HTT P42858 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 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
SCHEMBL2525228 0.80 KMT2A (0.61) KMT2AOPRK1KDM4EUSP2HPGD
Hydrochloric Acid SCHEMBL11130882 0.79 KMT2A (0.59) KMT2AOPRK1KDM4EUSP2HPGD
Hydrochloric Acid SCHEMBL30894755 0.79 KMT2A (0.59) KMT2AOPRK1KDM4EUSP2HPGD
SCHEMBL3275602 0.77 KMT2A (0.77) KMT2AOPRK1KDM4EUSP2HPGD
SCHEMBL1461233 0.76 KMT2A (0.56) KMT2AOPRK1KDM4EUSP2HPGD
SCHEMBL7171554 0.75 KMT2A (0.74) KMT2AOPRK1KDM4EUSP2HPGD
SCHEMBL8090833 0.73 KMT2A (1.00) KMT2AOPRK1KDM4EUSP2HPGD
SCHEMBL29152656 0.72 KMT2A (0.50) KMT2AOPRK1KDM4ECTSBCTSH
SCHEMBL20706341 0.71 ALDH1A1 (0.46) KMT2AKDM4EUSP2HPGDHSD17B10
SCHEMBL12250777 0.71 KDM4E (0.50) KDM4EUSP2HPGDHSD17B10GABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8470208-B2 Organometallic complexes E I DU PONT DE NEMOURS AND COMPANY (US) 2013-06-25 US disclosed
US-8470208-B2 Organometallic complexes E I DU PONT DE NEMOURS AND COMPANY (US) 2013-06-25 US disclosed
US-8470208-B2 Organometallic complexes E I DU PONT DE NEMOURS AND COMPANY (US) 2013-06-25 US disclosed
EP-1979437-B1 ORGANOMETALLIC COMPLEXES DU PONT (US) 2013-04-10 EP disclosed
EP-1979437-B1 ORGANOMETALLIC COMPLEXES DU PONT (US) 2013-04-10 EP disclosed
US-20100264380-A1 Organometallic complexes E. I. DU PONT DE NEMOURS AND COMPANY 2010-10-21 US disclosed
US-20100264380-A1 Organometallic complexes E. I. DU PONT DE NEMOURS AND COMPANY 2010-10-21 US disclosed
US-20100264380-A1 Organometallic complexes E. I. DU PONT DE NEMOURS AND COMPANY 2010-10-21 US disclosed
CN-101370904-A Organometallic complexes DU PONT (US) 2009-02-18 CN disclosed
EP-1979437-A2 ORGANOMETALLIC COMPLEXES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2008-10-15 EP disclosed
WO-2007087223-A2 ORGANOMETALLIC COMPLEXES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-08-02 WO disclosed
WO-2007087223-A2 ORGANOMETALLIC COMPLEXES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-08-02 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 (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-20100264380-A1 Organometallic complexes GSTO1, CYP4F12, CYP4F3 KMT2A 369/4885OPRK1 2075/4885KDM4E 719/4885

“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.