SCHEMBL21880433

SCHEMBL21880433

O=C(O)C1CCC(c2ccccc2)S1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.42
AKR1C1 Q04828 1/20 0.42
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
EDNRA P25101 1/20 0.37
HDAC4 P56524 1/20 0.37
BRD4 O60885 1/20 0.36
ALDH1A1 P00352 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HPGD P15428 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HTT P42858 1/20 0.35
POLB P06746 1/20 0.34
FABP7 O15540 1/20 0.34
FABP5 Q01469 1/20 0.34

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
SCHEMBL8088606 0.87 HTT (0.41) AKR1C3AKR1C1MEN1KMT2AHDAC4
SCHEMBL20601589 0.79 SLC18A3 (0.41) SLC6A3
SCHEMBL15481959 0.74 ALDH1A1 (0.35) AKR1C3AKR1C1BRD4ALDH1A1
SCHEMBL10109189 0.71 SLC18A3 (0.35) MEN1KMT2A
SCHEMBL2807157 0.71 TSHR (0.33) MEN1KMT2ARAB9APOLB
SCHEMBL68915 0.71 TSHR (0.33) MEN1KMT2ARAB9APOLB
SCHEMBL9025308 0.70 ALDH1A1 (0.47) KMT2AALDH1A1NPC1RAB9ASLC6A3
SCHEMBL9599896 0.69 SLC18A3 (0.36) AKR1C3AKR1C1BRD4ALDH1A1
SCHEMBL12785527 0.68 SLC6A2 (0.41) MEN1KMT2AHDAC4SLC6A3
SCHEMBL11981810 0.67 ALDH1A1 (0.38) AKR1C3AKR1C1MEN1KMT2AEDNRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210024508-A1 INHIBITING FATTY ACID SYNTHASE (FASN) FORMA THERAPEUTICS, INC. 2021-01-28 US disclosed
US-20200115368-A1 INHIBITING FATTY ACID SYNTHASE (FASN) FORMA THERAPEUTICS, INC. 2020-04-16 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-20210024508-A1 INHIBITING FATTY ACID SYNTHASE (FASN) FASN, SCD, FADS1 AKR1C3 642/4885AKR1C1 641/4885MEN1 4802/4885
US-20200115368-A1 INHIBITING FATTY ACID SYNTHASE (FASN) FASN, SCD, FADS1 AKR1C3 642/4885AKR1C1 641/4885MEN1 4802/4885

“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.