SCHEMBL8705771

SCHEMBL8705771

COc1cccc(C(C)(C)CO)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.46
ACHE P22303 1/20 0.45
MAPK1 P28482 2/20 0.45
TSHR P16473 1/20 0.45
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
ENPP2 Q13822 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP3A4 P08684 1/20 0.44
LMNA P02545 2/20 0.43
CMA1 P23946 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL3435840 0.85 KIF11 (0.46) KIF11ACHEMAPK1CNR1CNR2
SCHEMBL15045357 0.83 CNR1 (0.47) ACHEMAPK1CNR1CNR2ALDH1A1
SCHEMBL21381766 0.83 KIF11 (0.45) KIF11ACHECNR1CNR2CES2
SCHEMBL1479166 0.83 TAAR1 (0.53) KIF11ACHECA1CA2CA7
SCHEMBL9094904 0.83 KIF11 (0.45) KIF11ACHEMAPK1TSHRCES2
SCHEMBL8411112 0.83 KIF11 (0.45) KIF11ACHECNR1CNR2CES2
SCHEMBL1416801 0.82 RXRA (0.42) ALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL5644608 0.81 CNR1 (0.52) KIF11ACHECNR1CNR2CES2
Hydrochloric Acid SCHEMBL8508345 0.81 TAAR1 (0.52) KIF11ACHECA1CA2CA7
SCHEMBL2005286 0.81 KIF11 (0.44) KIF11ACHEMAPK1TSHRCES2

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-2718285-B1 HYDANTOIN DERIVATIVES AS KV3 INHIBITORS AUTIFONY THERAPEUTICS LTD (GB) 2016-03-16 EP disclosed
EP-2718285-B1 HYDANTOIN DERIVATIVES AS KV3 INHIBITORS AUTIFONY THERAPEUTICS LTD (GB) 2016-03-16 EP disclosed
US-9193704-B2 Hydantoin derivatives as KV3 inhibitors AUTIFONY THERAPEUTICS LIMITED (GB) 2015-11-24 US disclosed
US-9193704-B2 Hydantoin derivatives as KV3 inhibitors AUTIFONY THERAPEUTICS LIMITED (GB) 2015-11-24 US disclosed
US-9193704-B2 Hydantoin derivatives as KV3 inhibitors AUTIFONY THERAPEUTICS LIMITED (GB) 2015-11-24 US disclosed
US-20140107139-A1 HYDANTOIN DERIVATIVES AS KV3 INHIBITORS AUTIFONY THERAPEUTICS LIMITED (GB) 2014-04-17 US disclosed
US-20140107139-A1 HYDANTOIN DERIVATIVES AS KV3 INHIBITORS AUTIFONY THERAPEUTICS LIMITED (GB) 2014-04-17 US disclosed
US-20140107139-A1 HYDANTOIN DERIVATIVES AS KV3 INHIBITORS AUTIFONY THERAPEUTICS LIMITED (GB) 2014-04-17 US disclosed
EP-2718285-A1 HYDANTOIN DERIVATES AS KV3 INHIBITORS Autifony Therapeutics Limited (GB) 2014-04-16 EP disclosed
WO-2012168710-A1 HYDANTOIN DERIVATES AS KV3 INHIBITORS AUTIFONY THERAPEUTICS LIMITED (GB) 2012-12-13 WO disclosed
WO-2012168710-A1 HYDANTOIN DERIVATES AS KV3 INHIBITORS AUTIFONY THERAPEUTICS LIMITED (GB) 2012-12-13 WO disclosed
WO-1998007716-A2 HETEROAROTINOIDS-ANTICANCER AGENTS WITH RECEPTOR SPECIFICITY AND TGASE ACTIVITY THE BOARD OF REGENTS FOR OKLAHOMA STATE UNIVERSITY (US) 1998-02-26 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-20140107139-A1 HYDANTOIN DERIVATIVES AS KV3 INHIBITORS KCNA3, KCND3, KCNN3 KIF11 1785/4885ACHE 566/4885MAPK1 2183/4885

“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.