SCHEMBL3464002

SCHEMBL3464002

Cc1ccc2c(-c3ccc(C(C)(C)C)cc3)ccc(O)c2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.53
OPRK1 P41145 1/20 0.53
COMT P21964 1/20 0.44
CTSB P07858 1/20 0.44
CTSH P09668 1/20 0.44
METAP2 P50579 1/20 0.39
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 2/20 0.37
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAPT P10636 2/20 0.36
SIRT1 Q96EB6 1/20 0.36
LMNA P02545 2/20 0.35
TYR P14679 1/20 0.35
KIF11 P52732 1/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL4405953 0.80 KMT2A (0.57) KMT2AOPRK1COMTCTSBCTSH
SCHEMBL9976737 0.77 SMN1; SMN2 (0.36) KMT2AALDH1A1KDM4EHPGDMAPT
Phenol SCHEMBL4398891 0.77 KMT2A (0.53) KMT2AOPRK1COMTCTSBCTSH
SCHEMBL3462635 0.76 HIPK2 (0.37) LMNAKIF11NPC1RAB9ATP53
SCHEMBL31032819 0.74 KMT2A (0.62) KMT2AOPRK1CTSBCTSHMETAP2
SCHEMBL3462526 0.74 KMT2A (0.62) KMT2AOPRK1CTSBCTSHMETAP2
SCHEMBL17806567 0.74 KIF11 (0.44) ALDH1A1KDM4EHPGDALOX15HSD17B10
SCHEMBL3275602 0.73 KMT2A (0.77) KMT2AOPRK1CTSBCTSHMETAP2
SCHEMBL7171554 0.71 KMT2A (0.74) KMT2AOPRK1CTSBCTSHMETAP2
SCHEMBL8090833 0.70 KMT2A (1.00) KMT2AOPRK1CTSBCTSHMETAP2

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 11 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
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 2075/4885COMT 251/4885

“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.