SCHEMBL4944237

SCHEMBL4944237

Cn1ccc2ccc(-c3ccc(C(C)(C)C)cc3)cc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.45
KIF11 P52732 3/20 0.40
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
HTR6 P50406 2/20 0.38
HSD11B1 P28845 1/20 0.38
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MCL1 Q07820 1/20 0.37
PFKFB3 Q16875 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PRKCI P41743 1/20 0.37

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
SCHEMBL30046333 0.85 CYP2A6 (0.50) CYP2A6ALDH1A1MEN1MAPTKMT2A
SCHEMBL2627060 0.85 CYP2A6 (0.50) CYP2A6ALDH1A1MEN1MAPTKMT2A
SCHEMBL4940378 0.85 CYP2A6 (0.44) CYP2A6KIF11HTR6HSD11B1
SCHEMBL18029140 0.80 HSD11B1 (0.55) CYP2A6HTR6HSD11B1HTR1D
SCHEMBL31252266 0.79 KIF11 (0.37) KIF11KDM4EALDH1A1MEN1LMNA
SCHEMBL18029231 0.77 HTR6 (0.60) CYP2A6MEN1MAPTKMT2AHTR6
SCHEMBL21237213 0.76 FAAH (0.46) CYP2A6NPC1RAB9AABL1
SCHEMBL3861231 0.76 SCN5A (0.50) CYP2A6KIF11PRKCI
SCHEMBL19903845 0.75 HTR1D (0.59) CYP2A6KDM4EALDH1A1MAPTHTR6
SCHEMBL27896901 0.75 CYP2A6 (0.51) CYP2A6HTR6HSD11B1PFKFB3L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101384256-A PAI-1 Inhibitors for the Treatment of Muscle Conditions WYETH CORP (US) 2009-03-11 CN disclosed
US-20080214647-A1 SUBSTITUTED INDOLE ACID DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1) WYETH (US) 2008-09-04 US disclosed
US-7368471-B2 Substituted indole acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) WYETH (US) 2008-05-06 US disclosed
EP-1844771-A2 Substituted indole acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) Wyeth (US) 2007-10-17 EP disclosed
EP-1397130-B1 SUBSTITUTED INDOLE ACID DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1) WYETH CORP (US) 2007-07-25 EP disclosed
US-20060167059-A1 Substituted indole acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) WYETH (US) 2006-07-27 US disclosed
US-7074817-B2 Substituted indole acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) WYETH (US) 2006-07-11 US disclosed
US-20030125371-A1 Substituted indole acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) WYETH 2003-07-03 US 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 (3 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-20080214647-A1 SUBSTITUTED INDOLE ACID DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1) SERPINE1, TFPI, F12 CYP2A6 833/4885KIF11 2898/4885KDM4E 3308/4885
US-20060167059-A1 Substituted indole acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) SERPINE1, TFPI, F12 CYP2A6 835/4885KIF11 2907/4885KDM4E 3335/4885
US-20030125371-A1 Substituted indole acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) TFPI, SERPINE1, PLAT CYP2A6 992/4885KIF11 2870/4885KDM4E 3683/4885

“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.