SCHEMBL8868058

SCHEMBL8868058

COc1cc(CCO)ccc1N

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.67
TSHR P16473 3/20 0.52
CYP3A4 P08684 3/20 0.52
HSD17B10 Q99714 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
TAAR1 Q96RJ0 2/20 0.51
CYP19A1 P11511 2/20 0.51
MAPK1 P28482 1/20 0.51
LMNA P02545 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ATM Q13315 1/20 0.50
GLA P06280 1/20 0.50
GAA P10253 1/20 0.47
MET P08581 1/20 0.46
CYP1A2 P05177 1/20 0.46
NFKB1 P19838 1/20 0.46
KMT2A Q03164 2/20 0.45
AOC3 Q16853 1/20 0.45
AKR1B1 P15121 1/20 0.45
MEN1 O00255 1/20 0.45

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
SCHEMBL19921255 0.89 ALDH1A1 (0.62) ALDH1A1TSHRCYP3A4HSD17B10TDP1
SCHEMBL9516946 0.88 ALDH1A1 (0.77) ALDH1A1TSHRCYP3A4HSD17B10TDP1
SCHEMBL687841 0.85 GAA (0.67) ALDH1A1TSHRCYP3A4TAAR1CYP19A1
SCHEMBL5132141 0.85 ALDH1A1 (0.71) ALDH1A1TSHRCYP3A4HSD17B10TDP1
SCHEMBL31045431 0.85 ALDH1A1 (0.71) ALDH1A1TSHRCYP3A4HSD17B10TDP1
SCHEMBL4096678 0.85 ALDH1A1 (0.71) ALDH1A1TSHRCYP3A4HSD17B10TDP1
SCHEMBL13181141 0.83 ALDH1A1 (0.69) ALDH1A1TSHRCYP3A4HSD17B10TDP1
SCHEMBL2019108 0.83 KDM4E (0.72) ALDH1A1TSHRCYP3A4HSD17B10TDP1
SCHEMBL1299605 0.83 ALDH1A1 (0.69) ALDH1A1TSHRCYP3A4HSD17B10TDP1
SCHEMBL13098004 0.82 ATM (0.66) ALDH1A1CYP3A4CYP19A1KDM4EATM

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-11254696-B2 Dianilinopyrimidine compound for inhibiting kinase activity SHENZHEN TARGETRX, INC. (CN) 2022-02-22 US disclosed
US-20210087213-A1 DIANILINOPYRIMIDINE COMPOUND FOR INHIBITING KINASE ACTIVITY SHENZHEN TARGETRX, INC. (CN) 2021-03-25 US disclosed
WO-2021005165-A1 TETRAHYDROISOQUINOLINE COMPOUNDS ALLINKY BIOPHARMA (ES) 2021-01-14 WO disclosed
EP-3763711-A1 TETRAHYDROISOQUINOLINE COMPOUNDS Allinky Biopharma (ES) 2021-01-13 EP disclosed
US-5686484-A ANTHELMINTICS, ACARICIDES, INSECTICIDES SANKYO CO., LTD. (JP) 1997-11-11 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-20210087213-A1 DIANILINOPYRIMIDINE COMPOUND FOR INHIBITING KINASE ACTIVITY ALK, BRAF, MUSK ALDH1A1 1205/4885TSHR 2814/4885CYP3A4 1557/4885
US-11254696-B2 Dianilinopyrimidine compound for inhibiting kinase activity ALK, BRAF, MUSK ALDH1A1 1334/4885TSHR 2710/4885CYP3A4 1802/4885

“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.