SCHEMBL3889086

SCHEMBL3889086

Oc1ccc(-c2ccc(-c3ccc(-c4ccc(O)c5c4[nH]c4ccccc45)cc3)cc2)c2[nH]c3ccccc3c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.51
IMPDH1 P20839 1/20 0.51
CHEK1 O14757 4/20 0.50
CDK4 P11802 6/20 0.47
CCND1 P24385 6/20 0.47
GABRP O00591 1/20 0.46
GABRD O14764 1/20 0.46
GABRA1 P14867 1/20 0.46
GABRB1 P18505 1/20 0.46
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRA5 P31644 1/20 0.46
GABRA3 P34903 1/20 0.46
GABRA2 P47869 1/20 0.46
GABRB2 P47870 1/20 0.46
GABRA4 P48169 1/20 0.46
GABRE P78334 1/20 0.46
GABRA6 Q16445 1/20 0.46
GABRG1 Q8N1C3 1/20 0.46
GABRG3 Q99928 1/20 0.46

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
SCHEMBL3892910 0.87 IMPDH2 (0.53) IMPDH2IMPDH1CHEK1CDK4CCND1
SCHEMBL3951987 0.79 HPGD (0.55) CHEK1CDK4CCND1GABRPGABRD
SCHEMBL3876965 0.76 IMPDH2 (0.55) IMPDH2IMPDH1CHEK1CDK4CCND1
SCHEMBL28182943 0.76 IMPDH2 (0.55) IMPDH2IMPDH1CHEK1CDK4CCND1
SCHEMBL5830117 0.76 CHEK1 (0.56) IMPDH2IMPDH1CHEK1CDK4CCND1
SCHEMBL4901329 0.76 IMPDH2 (0.55) IMPDH2IMPDH1CHEK1CDK4CCND1
SCHEMBL14198729 0.76 MEN1 (0.73) IMPDH2IMPDH1CHEK1CDK4CCND1
SCHEMBL348241 0.75 CDK4 (0.58) CDK4CCND1CCNB2CCNE2CDK1
SCHEMBL27048149 0.75 CHEK1 (0.55) IMPDH2IMPDH1CHEK1CDK4CCND1
SCHEMBL38828 0.74 KIF11 (0.57) CDK4CCND1GABRPGABRDGABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362463-B2 Organometallic complexes E. I. DU PONT DE NEMOURS AND COMPANY (US) 2013-01-29 US disclosed
US-20090206327-A1 ORGANOMETALLIC COMPLEXES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2009-08-20 US disclosed
EP-1859656-A2 ORGANOMETALLIC COMPLEXES E.I. du Pont de Nemours and Company (US) 2007-11-28 EP disclosed
WO-2006072002-A2 ORGANOMETALLIC COMPLEXES E.I. DUPONT DE NEMOURS AND COMPANY (US) 2006-07-06 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-20090206327-A1 ORGANOMETALLIC COMPLEXES SLC25A11, TIMM9, TIMM50 IMPDH2 2778/4885IMPDH1 3080/4885CHEK1 2466/4885

“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.