SCHEMBL13413232

SCHEMBL13413232

CCC(C)(O)c1ccc(OC)c(F)c1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.46
HTT P42858 2/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
TUBB1 Q9H4B7 3/20 0.41
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MITF O75030 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL13394626 0.83 KIF11 (0.46) KIF11HTTLMNAMAPK1RAB9A
SCHEMBL16233081 0.80 LMNA (0.50) KIF11HTTLMNAMAPK1RAB9A
SCHEMBL2732542 0.78 KIF11 (0.49) KIF11HTTLMNAMAPK1RAB9A
SCHEMBL31172585 0.75 PKM (0.52) HTTALDH1A1
SCHEMBL8508741 0.75 KIF11 (0.54) KIF11HTTLMNAMAPK1RAB9A
SCHEMBL10667796 0.74 KIF11 (0.49) KIF11HTTLMNAMAPK1RAB9A
SCHEMBL1349578 0.74 MAP3K14 (0.44) KIF11HTTLMNAMAPK1RAB9A
SCHEMBL5616615 0.73 LMNA (0.44) KIF11HTTLMNAMAPK1RAB9A
SCHEMBL19469457 0.73 AKR1C3 (0.61) KIF11HTTLMNAMAPK1RAB9A
SCHEMBL3684692 0.73 NR3C2 (0.43) KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2274307-B1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES INC (US) 2015-07-29 EP disclosed
US-9051314-B2 Bridged heterocyclic compounds and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-06-09 US disclosed
US-9034869-B2 Bridged heterocyclic compounds and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-05-19 US disclosed
US-9006234-B2 Bridged heterocyclic compounds and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-04-14 US disclosed
US-8999977-B2 Bridged heterocyclic compounds and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-04-07 US disclosed
US-20140024643-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2014-01-23 US disclosed
US-8546381-B2 Bridged heterocyclic compounds and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2013-10-01 US disclosed
US-20130190303-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 US disclosed
US-20130190359-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 US disclosed
US-20130184269-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-18 US disclosed
US-20130172366-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2013-07-04 US disclosed
US-20100099667-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2010-04-22 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 (6 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-20140024643-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE HRH4, HNMT, HTR2C KIF11 3523/4885HTT 177/4885LMNA 4766/4885
US-20130190359-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE HRH4, HNMT, HTR2C KIF11 3523/4885HTT 177/4885LMNA 4766/4885
US-20130184269-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE HRH4, HNMT, HTR2C KIF11 3523/4885HTT 177/4885LMNA 4766/4885
US-20130172366-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE HRH4, HNMT, HTR2C KIF11 3523/4885HTT 177/4885LMNA 4766/4885
US-20130190303-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE HRH4, HNMT, HTR2C KIF11 3523/4885HTT 177/4885LMNA 4766/4885
US-20100099667-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE HRH4, HNMT, HTR2C KIF11 3523/4885HTT 177/4885LMNA 4766/4885

“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.