SCHEMBL19059646

SCHEMBL19059646

CCCCCC(C)(CCCCC)c1ccccc1F

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
GAA P10253 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CNR2 P34972 3/20 0.33
CNR1 P21554 2/20 0.33
TLR8 Q9NR97 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KCNN4 O15554 2/20 0.33
ACHE P22303 1/20 0.32
GRM2 Q14416 1/20 0.32
EPHX2 P34913 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
RIPK1 Q13546 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
SCHEMBL26053254 0.98 SMN1; SMN2 (0.36) SMN1; SMN2HDAC3HDAC1HDAC2GAA
SCHEMBL21339358 0.95 SMN1; SMN2 (0.35) SMN1; SMN2HDAC3HDAC1HDAC2GAA
SCHEMBL22435799 0.85 CNR2 (0.41) SMN1; SMN2MEN1KMT2ACNR2CNR1
SCHEMBL30526183 0.84 HSP90AA1 (0.42) SMN1; SMN2HDAC3HDAC1HDAC2GAA
SCHEMBL21549386 0.80 SLC6A2 (0.38) CNR1TLR8EPHX2SLC6A2SLC6A4
SCHEMBL19965715 0.80 SOAT1 (0.34) HDAC3HDAC1HDAC2CNR2CNR1
SCHEMBL983682 0.79 ALDH1A1 (0.50) GAAMEN1KMT2ACNR2CNR1
SCHEMBL24198892 0.79 HPGD (0.40) GAACNR2CNR1
SCHEMBL26655650 0.78 RIPK1 (0.36) HDAC3HDAC1HDAC2MEN1KMT2A
SCHEMBL22877802 0.78 CNR2 (0.47) GAACNR2CNR1TLR8

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-11787799-B2 Potent antiviral pyrazolopyridine compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-10-17 US disclosed
US-20220119384-A1 POTENT ANTIVIRAL PYRAZOLOPYRIDINE COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2022-04-21 US disclosed
US-10011573-B2 Human androgen receptor DNA-binding domain (DBD) compounds as therapeutics and methods for their use THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2018-07-03 US disclosed
US-20170183319-A1 HUMAN ANDROGEN RECEPTOR DNA-BINDING DOMAN (DBD) COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2017-06-29 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-11787799-B2 Potent antiviral pyrazolopyridine compounds MAVS, VRK1, VRK2 SMN1; SMN2 2918/4885HDAC3 1549/4885HDAC1 1709/4885
US-20220119384-A1 POTENT ANTIVIRAL PYRAZOLOPYRIDINE COMPOUNDS MAVS, VRK1, VRK2 SMN1; SMN2 2918/4885HDAC3 1549/4885HDAC1 1709/4885
US-10011573-B2 Human androgen receptor DNA-binding domain (DBD) compounds as therapeutics and methods for their use AR, SHBG, BRCA1 SMN1; SMN2 4764/4885HDAC3 380/4885HDAC1 390/4885
US-20170183319-A1 HUMAN ANDROGEN RECEPTOR DNA-BINDING DOMAN (DBD) COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE AR, FSHR, ESRRB SMN1; SMN2 4789/4885HDAC3 277/4885HDAC1 303/4885

“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.