SCHEMBL17014701

SCHEMBL17014701

CC(C)OCCc1cccc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP2D6 P10635 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
NR2E1 Q9Y466 1/20 0.45
SLC18A2 Q05940 1/20 0.45
NQO2 P16083 1/20 0.45
CYP2C9 P11712 1/20 0.44
KMT2A Q03164 1/20 0.43
MTNR1A P48039 1/20 0.43
CDYL Q9Y232 1/20 0.43
AKR1B1 P15121 1/20 0.42

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
SCHEMBL16247718 0.83 KDM4E (0.43) ALDH1A1KDM4ETDP1CYP1A2CYP2C19
SCHEMBL29143215 0.82 CYP1A2 (0.44) ALDH1A1KDM4ETDP1CYP1A2CYP2C19
SCHEMBL31432573 0.81 SLC1A3 (0.53) ALDH1A1KDM4ETDP1CYP1A2CYP2C19
SCHEMBL10819592 0.81 SLC1A3 (0.53) ALDH1A1KDM4ETDP1CYP1A2CYP2C19
SCHEMBL14315593 0.80 SIGMAR1 (0.42) ALDH1A1KDM4ETDP1CYP1A2CYP2C19
SCHEMBL18473494 0.80 KDM4E (0.43) ALDH1A1KDM4ETDP1SIGMAR1SLC18A2
SCHEMBL30487942 0.79 CYP1A2 (0.50) ALDH1A1KDM4ETDP1CYP1A2CYP2C19
SCHEMBL791971 0.79 CYP1A2 (0.50) ALDH1A1KDM4ETDP1CYP1A2CYP2C19
SCHEMBL27596064 0.79 KDM4E (0.48) ALDH1A1KDM4ETDP1CYP1A2CYP2C19
SCHEMBL586305 0.79 CYP1A2 (0.52) TDP1CYP1A2CYP2C19CYP2D6SLC18A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9353066-B2 Substituted phenyl-Spleen Tyrosine Kinase (Syk) inhibitors MERCK SHARP & DOHME CORP. (US) 2016-05-31 US disclosed
US-20150232428-A1 SUBSTITUTED PHENYL-SPLEEN TYROSINE KINASE (SYK) INHIBITORS MERCK CANADA INC. (CA) 2015-08-20 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 (1 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-20150232428-A1 SUBSTITUTED PHENYL-SPLEEN TYROSINE KINASE (SYK) INHIBITORS SYK, BTK, LYN ALDH1A1 4019/4885KDM4E 524/4885TDP1 1278/4885

“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.