SCHEMBL17410752

SCHEMBL17410752

Cc1cccc(C(=O)C2(O)CC2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.53
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HPGD P15428 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KCNK3 O14649 1/20 0.46
KCNH2 Q12809 1/20 0.46
KCNK9 Q9NPC2 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
GABRD O14764 1/20 0.46
GABRA1 P14867 1/20 0.46
GABRB1 P18505 1/20 0.46
GABRA5 P31644 1/20 0.46
GABRA3 P34903 1/20 0.46
GABRA2 P47869 1/20 0.46
GABRB2 P47870 1/20 0.46
GABRA4 P48169 1/20 0.46
ENPP3 O14638 1/20 0.45

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
SCHEMBL23866010 0.91 HPGD (0.51) PARP1HDAC8HDAC6HPGDSMN1; SMN2
SCHEMBL11988896 0.88 ALDH1A1 (0.44) PARP1HDAC8HDAC6HPGDSMN1; SMN2
SCHEMBL21239990 0.77 RXRA (0.44) HDAC8HPGDSMN1; SMN2TDP1LMNA
SCHEMBL17404496 0.77 ACHE (0.54) HDAC8HDAC6SMN1; SMN2KCNK9MEN1
SCHEMBL11341980 0.76 CES1 (0.46) PARP1HDAC8HDAC6HPGDSMN1; SMN2
Toluene SCHEMBL28293691 0.75 CES2 (0.44) HPGDSMN1; SMN2MEN1KMT2APOLB
SCHEMBL21555210 0.75 ACHE (0.38) HDAC8HDAC6HPGDKCNK3KCNK9
SCHEMBL3753879 0.73 PARP1 (0.68) PARP1HDAC8HDAC6HPGDSMN1; SMN2
SCHEMBL186545 0.73 PARP1 (0.68) PARP1HDAC8HDAC6HPGDSMN1; SMN2
SCHEMBL29503529 0.73 PARP1 (0.68) PARP1HDAC8HDAC6HPGDSMN1; SMN2

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
WO-2020150423-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS YUMANITY THERAPEUTICS, INC. (US) 2020-07-23 WO disclosed
US-20190241533-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR INHIBITION OF FASN FORMA THERAPEUTICS, INC. 2019-08-08 US disclosed
EP-2968316-B1 2-HYDROXY-1-{4-[(4-PHENYLPHENYL)CARBONYL]PIPERAZIN-1-YL}ETHAN-1-ONE DERIVATIVES AND RELATED COMPOUNDS AS FATTY ACID SYNTHASE (FASN) INHIBITORS FOR THE TREATMENT OF CANCER FORMA THERAPEUTICS INC (US) 2019-08-07 EP disclosed
US-20170312273-A1 METHODS OF USING FASN INHIBITORS FORMA THERAPEUTICS, INC. 2017-11-02 US disclosed
US-20160002188-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR INHIBITION OF FASN FORMA THERAPEUTICS, INC. 2016-01-07 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 (3 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-20190241533-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR INHIBITION OF FASN FASN, FABP1, SCD PARP1 716/4885HDAC8 1927/4885HDAC6 727/4885
US-20170312273-A1 METHODS OF USING FASN INHIBITORS FASN, IL1RN, CCR1 PARP1 3116/4885HDAC8 160/4885HDAC6 99/4885
US-20160002188-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR INHIBITION OF FASN FASN, FABP1, SCD PARP1 716/4885HDAC8 1927/4885HDAC6 727/4885

“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.