SCHEMBL6645889

SCHEMBL6645889

C=C[CH]c1cccc2c1Cc1ccccc1C2

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.33
CYP2A6 P11509 1/20 0.32
CYP1A2 P05177 1/20 0.32
DRD2 P14416 2/20 0.31
DRD1 P21728 2/20 0.31
DRD5 P21918 2/20 0.31
DRD3 P35462 2/20 0.31
DRD4 P21917 1/20 0.31
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 1/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA4 P22748 1/20 0.30

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
SCHEMBL1306760 0.83 PNMT (0.47) PNMTDRD2DRD3DRD4ADRA1D
SCHEMBL8910190 0.76 LMNA (0.48) CYP2A6CYP1A2DRD2DRD1DRD5
SCHEMBL11796831 0.71 ALDH1A1 (0.43) TSHR
SCHEMBL1245608 0.69 PNMT (0.49) PNMTDRD2DRD3DRD4ADRA1D
SCHEMBL29935665 0.69 CYP1A2 (0.48) CYP2A6CYP1A2DRD2DRD1DRD5
SCHEMBL7761852 0.69 CYP1A2 (0.39) PNMTCYP2A6CYP1A2DRD2DRD1
Fluorene SCHEMBL3334524 0.68 MAOA (0.54) PNMTCYP1A2ADRA1DADRA1AADRA1B
SCHEMBL29139180 0.67 CYP1A2 (0.48) PNMTCYP2A6CYP1A2DRD2DRD1
SCHEMBL13979626 0.65 CYP1A2 (0.46) CYP2A6CYP1A2DRD2
SCHEMBL22081972 0.65 CYP1A2 (0.62) CYP2A6CYP1A2DRD2DRD1DRD5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0986384-A4 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIV PITTSBURGH (US) 2004-09-15 EP claimed
US-20020193596-A1 Inhibitors of protein isoprenyl transferases UNIVERSITY OF PITTSBURGH (US) 2002-12-19 US claimed
EP-0986384-A1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 2000-03-22 EP claimed
WO-1998050030-A1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 1998-11-12 WO claimed
WO-1998050031-A1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 1998-11-12 WO claimed
EP-0986384-A4 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIV PITTSBURGH (US) 2004-09-15 EP disclosed
US-6693123-B2 (4-(3-PYRIDYLAMINOMETHYLENE)-2-PHENYLBENZOYL)-N -METHYLMETHIONINE, METHYL ESTER FOR EXAMPLE; RESTENOSIS, HYPERPLASIA UNIVERSITY OF PITTSBURGH 2004-02-17 US disclosed
US-20020193596-A1 Inhibitors of protein isoprenyl transferases UNIVERSITY OF PITTSBURGH (US) 2002-12-19 US disclosed
US-6310095-B1 INHIBITING OR TREATING CANCER, TREATING INTIMAL HYPERPLASIA ASSOCIATED WITH RESTENOSIS AND ATHEROSCLEROSIS, INHIBITING POST-TRANSLATIONAL MODIFICATION OF ONCOGENIC RAS PROTEIN BY PROTEIN FARNESYLTRANSFERASE AND/OR GERANYLGERANYLTRANSFERASE UNIVERSITY OF PITTSBURGH 2001-10-30 US disclosed
US-6221865-B1 INHIBITORS OF PROTEIN FARNESYLTRANSFERASE AND PROTEIN GERANYLGERANYLTRANSFERASE. UNIVERSITY OF PITTSBURGH 2001-04-24 US disclosed
US-6204293-B1 INHIBITING POST-TRANSLATIONAL MODIFICATION OF THE ONCOGENIC RAS PROTEIN BY PROTEIN FARNESYLTRANSFERASE, PROTEIN GERANYLGERANYLTRANSFERASE, OR BOTH UNIVERSITY OF PITTSBURGH 2001-03-20 US disclosed
EP-0986384-A1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 2000-03-22 EP disclosed
WO-1998050031-A1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 1998-11-12 WO disclosed
WO-1998050030-A1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 1998-11-12 WO disclosed
WO-1998050029-A1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 1998-11-12 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-20020193596-A1 Inhibitors of protein isoprenyl transferases LANCL1, FNTB, DHCR7 PNMT 1593/4885CYP2A6 1889/4885CYP1A2 2534/4885

“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.