SCHEMBL19001344

SCHEMBL19001344

CCNCc1ccccc1OCc1ccccc1

nearest known ligand 0.97

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.97
LMNA P02545 2/20 0.62
ALDH1A1 P00352 3/20 0.59
POLB P06746 1/20 0.59
MAPT P10636 2/20 0.57
TDP1 Q9NUW8 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
KDM4E B2RXH2 1/20 0.57
MEN1 O00255 1/20 0.57
TP53 P04637 1/20 0.57
THRB P10828 1/20 0.57
HPGD P15428 1/20 0.57
BLM P54132 1/20 0.57
KMT2A Q03164 1/20 0.57
HTR1A P08908 2/20 0.57
DRD2 P14416 1/20 0.57
TRPV6 Q9H1D0 2/20 0.56
PKM P14618 1/20 0.55
BCHE P06276 2/20 0.55
ADRA1D P25100 1/20 0.53

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
SCHEMBL19049410 0.87 GAA (0.75) GAALMNAALDH1A1POLBMAPT
SCHEMBL19002556 0.83 GAA (0.69) GAALMNAMEN1KMT2ABCHE
SCHEMBL13948892 0.83 ALDH1A1 (0.77) GAALMNAALDH1A1POLBMAPT
SCHEMBL18997832 0.83 GAA (0.68) GAALMNAALDH1A1POLBMAPT
SCHEMBL10282637 0.82 ALDH1A1 (0.68) GAALMNAALDH1A1POLBMAPT
SCHEMBL27403102 0.82 CCR5 (0.76) GAALMNAALDH1A1TP53
SCHEMBL5092381 0.82 GAA (0.67) GAALMNAALDH1A1POLBMAPT
Bromide SCHEMBL8163316 0.81 CCR5 (0.74) GAALMNAALDH1A1TP53
Hydrochloric Acid SCHEMBL7809179 0.81 CCR5 (0.74) GAALMNAALDH1A1MEN1KMT2A
SCHEMBL10784832 0.81 HTR1A (0.73) GAAMAPTTDP1L3MBTL1HTR1A

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
US-11000515-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2021-05-11 US disclosed
US-20200061037-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY THERAPEUTICS, INC. 2020-02-27 US disclosed
US-20180162867-A1 EIS INHIBITORS UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2018-06-14 US disclosed
WO-2017112777-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC (US) 2017-06-29 WO disclosed
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC 2017-06-22 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-11000515-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS GAA 2581/4885LMNA 3109/4885ALDH1A1 3448/4885
US-20180162867-A1 EIS INHIBITORS EP300, ACAT1, ACAT2 GAA 274/4885LMNA 2930/4885ALDH1A1 1232/4885
US-20200061037-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE HRAS, KRAS, NRAS GAA 2581/4885LMNA 3109/4885ALDH1A1 3448/4885
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE MAPK6, MAP3K6, MAPK4 GAA 2713/4885LMNA 3509/4885ALDH1A1 2765/4885

“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.