SCHEMBL17222276

SCHEMBL17222276

O=C(O)C1(c2ccccc2F)CC(O)C1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 9/20 0.50
AKR1C1 Q04828 1/20 0.43
ELOVL1 Q9BW60 1/20 0.40
OPRL1 P41146 4/20 0.39
HCAR2 Q8TDS4 1/20 0.38
HDAC9 Q9UKV0 1/20 0.36

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
SCHEMBL17222274 1.00 HDAC4 (0.50) HDAC4AKR1C1ELOVL1OPRL1HCAR2
SCHEMBL301133 0.83 HDAC4 (0.59) HDAC4AKR1C1ELOVL1OPRL1HCAR2
SCHEMBL31125559 0.83 HDAC4 (0.59) HDAC4AKR1C1ELOVL1OPRL1HCAR2
SCHEMBL30501854 0.81 HDAC4 (0.62) HDAC4AKR1C1ELOVL1OPRL1
SCHEMBL3184587 0.81 HDAC4 (0.67) HDAC4AKR1C1ELOVL1
SCHEMBL5637311 0.81 HDAC4 (0.62) HDAC4AKR1C1ELOVL1OPRL1
SCHEMBL31580968 0.81 HDAC4 (0.67) HDAC4AKR1C1ELOVL1
SCHEMBL17222255 0.81 PSEN1 (0.42) HDAC4ELOVL1
SCHEMBL17222252 0.81 PSEN1 (0.42) HDAC4ELOVL1
SCHEMBL27035072 0.81 HDAC4 (0.49) HDAC4AKR1C1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3784671-A1 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY XRad Therapeutics, Inc. (US) 2021-03-03 EP disclosed
WO-2019201283-A1 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY XRAD THERAPEUTICS, INC. (US) 2019-10-24 WO disclosed
US-9687459-B2 Aminocyclobutane derivatives, method for preparing same and the use thereof as drugs PIERRE FABRE MEDICAMENT (FR) 2017-06-27 US disclosed
US-20170065543-A1 AMINOCYCLOBUTANE DERIVATIVES, METHOD FOR PREPARING SAME AND THE USE THEREOF AS DRUGS PIERRE FABRE MEDICAMENT (FR) 2017-03-09 US disclosed
US-9469601-B2 Aminocyclobutane derivatives, method for preparing same and the use thereof as drugs PIERRE FABRE MEDICAMENT (FR) 2016-10-18 US disclosed
US-20150315132-A1 AMINOCYCLOBUTANE DERIVATIVES, METHOD FOR PREPARING SAME AND THE USE THEREOF AS DRUGS PIERRE FABRE MEDICAMENT (FR) 2015-11-05 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 (2 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-20150315132-A1 AMINOCYCLOBUTANE DERIVATIVES, METHOD FOR PREPARING SAME AND THE USE THEREOF AS DRUGS GRIN1, GRIN3A, GRM1 HDAC4 3435/4885AKR1C1 844/4885ELOVL1 3670/4885
US-20170065543-A1 AMINOCYCLOBUTANE DERIVATIVES, METHOD FOR PREPARING SAME AND THE USE THEREOF AS DRUGS GRIN1, GRIN3A, GRM1 HDAC4 3435/4885AKR1C1 844/4885ELOVL1 3670/4885

“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.