SCHEMBL4933320

SCHEMBL4933320

COc1ccc(C)c(C)c1OC(=O)CCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.52
PTPN1 P18031 1/20 0.50
ALOX5 P09917 2/20 0.48
KMT2A Q03164 2/20 0.47
TDP1 Q9NUW8 1/20 0.46
HPGD P15428 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MAPT P10636 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL28439801 0.84 AKR1C3 (0.54) AKR1C3ALOX5KMT2ATDP1HPGD
SCHEMBL28283295 0.78 AKR1C3 (0.64) AKR1C3ALOX5KMT2ATDP1HPGD
SCHEMBL11527185 0.78 SMN1; SMN2 (0.71) KMT2ATDP1SMN1; SMN2RAB9AMAPT
SCHEMBL31321650 0.77 AKR1C3 (0.66) AKR1C3ALOX5KMT2AHPGDPOLB
SCHEMBL28040073 0.76 KMT2A (0.57) AKR1C3ALOX5KMT2AHPGDMAPT
SCHEMBL22528727 0.76 TDP1 (0.53) AKR1C3KMT2ATDP1SMN1; SMN2NPC1
SCHEMBL28062064 0.75 TDP1 (0.56) AKR1C3KMT2ATDP1SMN1; SMN2MAPT
SCHEMBL8122320 0.75 AKR1C3 (0.60) AKR1C3ALOX5KMT2AHPGDNPC1
SCHEMBL22499185 0.73 TDP1 (0.58) AKR1C3ALOX5KMT2ATDP1SMN1; SMN2
SCHEMBL31321719 0.73 AKR1C3 (0.65) AKR1C3ALOX5KMT2ATDP1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080146844-A1 PROCESS FOR PREPARING TOLTERODINE DR. REDDY'S LABORATORIES LIMITED (IN) 2008-06-19 US disclosed
EP-1419135-A4 PROCESS FOR THE PREPARATION OF TOLTERODINE RANBAXY LAB LTD (IN) 2006-01-11 EP disclosed
US-6822119-B1 REACTING 3,4-DIHYDRO-6-METHYL-4-PHENYL-2H-BENZOPYRAN-2-ONE WITH DIMETHYL SULFATE USING PHASE TRANSFER CATALYST; DESTERIFICATION, REDUCTION, AMINATION, SULFONATION, DEPROTECTING, DECYCLIZATION, AND SALT FORMATION RANBAXY LABORATORIES LIMITED (IN) 2004-11-23 US disclosed
EP-1419135-A1 PROCESS FOR THE PREPARATION OF TOLTERODINE RANBAXY LABORATORIES, LTD. (IN) 2004-05-19 EP disclosed
WO-2003014060-A1 PROCESS FOR THE PREPARATION OF TOLTERODINE RANBAXY LABORATORIES LIMITED (IN) 2003-02-20 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-20080146844-A1 PROCESS FOR PREPARING TOLTERODINE ADRA2B, ADRB3, ADRB1 AKR1C3 1421/4885PTPN1 3823/4885ALOX5 3454/4885

“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.