SCHEMBL1913852

SCHEMBL1913852

C=CCc1ccc([O])c(CC=C)c1-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
GABRA1 P14867 2/20 0.33
GABRB2 P47870 2/20 0.33
MAPT P10636 4/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
PDE4B Q07343 5/20 0.32
PDE4D Q08499 2/20 0.32
RXRA P19793 2/20 0.32
NR4A2 P43354 2/20 0.32
AURKA O14965 1/20 0.32
DAPK3 O43293 1/20 0.32
MAP4K4 O95819 1/20 0.32
RET P07949 1/20 0.32
IGF1R P08069 1/20 0.32
MET P08581 1/20 0.32
PIM1 P11309 1/20 0.32
LTK P29376 1/20 0.32

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
SCHEMBL4000170 0.79 GABRA1 (0.42) KMT2ANPC1RAB9AGABRA1GABRB2
SCHEMBL7556444 0.76 GABRA1 (0.48) KMT2ANPC1RAB9AGABRA1GABRB2
SCHEMBL9397812 0.76 GABRA1 (0.35) GABRA1GABRB2POLB
SCHEMBL7037293 0.76 GABRA1 (0.38) KMT2ANPC1RAB9AGABRA1GABRB2
SCHEMBL19166888 0.75 MAPT (0.46) KMT2ANPC1RAB9AMAPTLMNA
SCHEMBL9859732 0.75 GABRA1 (0.37) KMT2ANPC1RAB9AGABRA1GABRB2
SCHEMBL16487343 0.74 GABRA1 (0.39) KMT2AGABRA1GABRB2MAPTLMNA
SCHEMBL28175070 0.74 GABRA1 (0.35) GABRA1GABRB2MAPTLMNAHTT
SCHEMBL27806692 0.72 GABRA1 (0.50) KMT2AGABRA1GABRB2MAPTRXRA
SCHEMBL5403133 0.72 GABRA1 (0.40) KMT2ANPC1RAB9AGABRA1GABRB2

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 76 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10568851-B2 Compounds and methods of treating ocular disorders CASE WESTERN RESERVE UNIVERSITY (US) 2020-02-25 US claimed
US-20140235562-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS CASE WESTERN RESERVE UNIVERSITY 2014-08-21 US claimed
US-20140235604-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-08-21 US claimed
WO-2013063269-A2 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS CASE WESTERN RESERVE UNIVERSITY (US) 2013-05-02 WO claimed
US-20120295895-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-11-22 US claimed
EP-2509596-A2 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS Case Western Reserve University (US) 2012-10-17 EP claimed
WO-2011071995-A2 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS CASE WESTERN RESERVE UNIVERSITY (US) 2011-06-16 WO claimed
US-20070027212-A1 ALPHA 2 DELTA LIGANDS FOR FIBROMYALGIA AND OTHER DISORDERS PFIZER INC 2007-02-01 US claimed
US-7164034-B2 Alpha2delta ligands for fibromyalgia and other disorders PFIZER INC. (US) 2007-01-16 US claimed
EP-1572188-A1 PREGABALIN DERIVATIVES FOR THE TREATMENT OF FIBROMYALGIA AND OTHER DISORDERS Warner-Lambert Company LLC (US) 2005-09-14 EP claimed
EP-1515709-A2 USE OF AN ALPHA2DELTA LIGAND SUCH AS GABAPENTIN OR PREGABALIN FOR TREATING ATTENTION DEFICIT HYPERACTIVITY DISORDER Warner-Lambert Company LLC (US) 2005-03-23 EP claimed
EP-1469841-A1 ALPHA 2 DELTA LIGANDS TO TREAT TINNITUS WARNER-LAMBERT COMPANY (US) 2004-10-27 EP claimed
US-20040186177-A1 Alpha2delta ligands for fibromyalgia and other disorders DOOLEY DAVID JAMES (US) 2004-09-23 US claimed
WO-2004054566-A1 PREGABALIN DERIVATIVES FOR THE TREATMENT OF FIBROMYALGIA AND OTHER DISORDERS WARNER-LAMBERT COMPANY LLC (US) 2004-07-01 WO claimed
US-20040097405-A1 Method of treating cartilage damage SCHRIER DENIS (US) 2004-05-20 US claimed
WO-2004002462-A2 USE OF AN ALPHA2DELTA LIGAND SUCH AS GABAPENTIN OR PREGABALIN FOR TREATING TTENTION DEFICIT HYPERACTIVITY DISORDER WARNER-LAMBERT COMPANY LLC (US) 2004-01-08 WO claimed
US-20040006073-A1 Method of treating attention deficit hyperactivity disorder DOOLEY DAVID JAMES (US) 2004-01-08 US claimed
US-20030176504-A1 Method of treating tinnitus DOOLEY DAVID JAMES (US) 2003-09-18 US claimed
WO-2003063845-A1 ALPHA 2 DELTA LIGANDS TO TREAT TINNITUS WARNER-LAMBERT COMPANY LLC (US) 2003-08-07 WO claimed
EP-1199072-A2 Method of treating cartilage damage WARNER-LAMBERT COMPANY (US) 2002-04-24 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 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-20140235562-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS ALDH1A2, TXNRD2, TXNRD1 KMT2A 4342/4885NPC1 333/4885RAB9A 554/4885
US-20030176504-A1 Method of treating tinnitus ADRA2A, ADRA1A, ADRA1D KMT2A 823/4885NPC1 905/4885RAB9A 2119/4885
US-20070027212-A1 ALPHA 2 DELTA LIGANDS FOR FIBROMYALGIA AND OTHER DISORDERS OPRD1, HCRTR2, OPRL1 KMT2A 1829/4885NPC1 1661/4885RAB9A 1461/4885
US-20120295895-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS ALDH1A2, NR2E3, LRAT KMT2A 2643/4885NPC1 29/4885RAB9A 432/4885
US-10568851-B2 Compounds and methods of treating ocular disorders ALDH1A2, TXNRD2, TXNRD1 KMT2A 4342/4885NPC1 333/4885RAB9A 554/4885
US-20040186177-A1 Alpha2delta ligands for fibromyalgia and other disorders OPRD1, HTR1A, HTR3A KMT2A 854/4885NPC1 1633/4885RAB9A 1032/4885
US-20040097405-A1 Method of treating cartilage damage COL2A1, COL1A1, GABRB1 KMT2A 3421/4885NPC1 1649/4885RAB9A 2855/4885
US-20140235604-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS ALDH1A2, NR2E3, LRAT KMT2A 2643/4885NPC1 29/4885RAB9A 432/4885
US-20040006073-A1 Method of treating attention deficit hyperactivity disorder GABRB2, GABBR1, GABBR2 KMT2A 1176/4885NPC1 1081/4885RAB9A 1639/4885

“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.