SCHEMBL805453

SCHEMBL805453

CCC1(c2ccccc2F)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.40
ESR1 P03372 2/20 0.39
KDM1A O60341 1/20 0.39
RCOR1 Q9UKL0 1/20 0.39
SLC6A4 P31645 5/20 0.36
SLC6A3 Q01959 5/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
OPRL1 P41146 1/20 0.36
ACHE P22303 1/20 0.34
HTR2A P28223 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
TACR1 P25103 1/20 0.34
KCNH2 Q12809 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
SCHEMBL805452 0.92 ESR1 (0.43) HDAC4ESR1KDM1ARCOR1SLC6A4
SCHEMBL21399642 0.81 OPRM1 (0.37) HDAC4ESR1OPRM1OPRD1OPRK1
SCHEMBL8559067 0.79 NOTUM (0.40) HDAC4OPRL1HTR2A
SCHEMBL24018816 0.79 SLC6A3 (0.54) HDAC4SLC6A4SLC6A3HTR2ASLC6A2
SCHEMBL22957660 0.79 SLC6A4 (0.58) HDAC4SLC6A4SLC6A3SLC6A2TAAR1
SCHEMBL15043623 0.77 ESR1 (0.44) HDAC4ESR1SLC6A4SLC6A3PSEN1
SCHEMBL16767071 0.77 HDAC4 (0.33) HDAC4
SCHEMBL2049569 0.77 LMNA (0.38) HDAC4ESR1SLC6A4SLC6A3OPRM1
SCHEMBL16591488 0.76 BACE1 (0.42) HDAC4SLC6A4SLC6A3
SCHEMBL9004269 0.76 HDAC4 (0.46) HDAC4ESR1SLC6A4SLC6A3SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220144829-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2022-05-12 US disclosed
US-11180494-B2 Substituted amino acids as integrin inhibitors PLIANT THERAPEUTICS, INC. (US) 2021-11-23 US disclosed
US-20200109141-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2020-04-09 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 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 (4 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-20220144829-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA1, ITGAL HDAC4 2407/4885ESR1 4032/4885KDM1A 2228/4885
US-20200109141-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA1, ITGAL HDAC4 2407/4885ESR1 4032/4885KDM1A 2228/4885
US-11180494-B2 Substituted amino acids as integrin inhibitors ITGB6, ITGA1, ITGB1 HDAC4 2411/4885ESR1 4013/4885KDM1A 1874/4885
US-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 HDAC4 2231/4885ESR1 1350/4885KDM1A 1493/4885

“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.