SCHEMBL21776121

SCHEMBL21776121

CCC(C)c1cccc(C)c1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
RORC P51449 1/20 0.33
ACHE P22303 1/20 0.33
ESR1 P03372 1/20 0.33
MAPK1 P28482 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
SCN4A P35499 3/20 0.32
MAOA P21397 2/20 0.32
LMNA P02545 2/20 0.32
SCN1A P35498 2/20 0.32
SCN5A Q14524 2/20 0.32
SCN9A Q15858 2/20 0.32
MAOB P27338 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
NFKB1 P19838 1/20 0.32

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
SCHEMBL20738578 0.82 GABRA1 (0.39) TSHRACHEESR1MAPK1SCN4A
SCHEMBL21259631 0.82 TSHR (0.50) TSHRRORCHDAC4HDAC2HDAC8
SCHEMBL22306685 0.82 TSHR (0.50) TSHRRORCHDAC4HDAC2HDAC8
SCHEMBL18533077 0.82 TSHR (0.50) TSHRRORCHDAC4HDAC2HDAC8
SCHEMBL12374304 0.82 TSHR (0.41) TSHRRORC
SCHEMBL27391011 0.79 TSHR (0.52) TSHRRORCESR1MAPK1HDAC4
SCHEMBL4547916 0.79 GABRA1 (0.46) TSHRACHEESR1MAPK1LMNA
SCHEMBL5496564 0.79 TSHR (0.61) TSHRRORCACHEESR1CYP2D6
SCHEMBL5357776 0.79 TSHR (0.61) TSHRRORCACHEESR1CYP2D6
SCHEMBL29654913 0.79 TSHR (0.61) TSHRRORCACHEESR1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11247990-B1 Bicyclic fused pyridine compounds as inhibitors of TAM kinases ARRAY BIOPHARMA INC (US) 2022-02-15 US disclosed
US-20210393641-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF OXFORD FINANCE LLC 2021-12-23 US disclosed
US-20200062760-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. 2020-02-27 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-20200062760-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PTPRCAP, PTPRJ, PTPRC TSHR 3514/4885RORC 363/4885ACHE 3774/4885
US-20210393641-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF MUC1, CFTR, SLC26A4 TSHR 3465/4885RORC 516/4885ACHE 1144/4885
US-11247990-B1 Bicyclic fused pyridine compounds as inhibitors of TAM kinases MAP3K1, MAP3K3, MAP3K2 TSHR 724/4885RORC 1489/4885ACHE 4351/4885

“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.