SCHEMBL2809002

SCHEMBL2809002

Cc1cc(-c2cc(C)c(O)c(N)c2)cc(N)c1O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.65
KDM4E B2RXH2 3/20 0.65
LMNA P02545 2/20 0.65
GAA P10253 2/20 0.65
MAPT P10636 2/20 0.65
CA1 P00915 1/20 0.65
CA2 P00918 1/20 0.65
TSHR P16473 5/20 0.50
CYP3A4 P08684 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
TP53 P04637 2/20 0.50
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
PKM P14618 1/20 0.45
FYN P06241 5/20 0.43
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
NPC1 O15118 1/20 0.39
MITF O75030 1/20 0.39

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
Ether SCHEMBL2813511 0.85 ALDH1A1 (0.50) ALDH1A1KDM4ELMNAGAAMAPT
SCHEMBL2813512 0.85 ALDH1A1 (0.50) ALDH1A1KDM4ELMNAGAAMAPT
SCHEMBL220910 0.80 CA1 (1.00) ALDH1A1KDM4ELMNAGAAMAPT
SCHEMBL22804025 0.80 CA1 (1.00) ALDH1A1KDM4ELMNAGAAMAPT
SCHEMBL18909536 0.80 ALDH1A1 (0.43) ALDH1A1KDM4ELMNAGAAMAPT
SCHEMBL1285862 0.79 ALDH1A1 (0.65) ALDH1A1KDM4ELMNAGAAMAPT
SCHEMBL29872567 0.79 ALDH1A1 (1.00) ALDH1A1KDM4ELMNAGAAMAPT
SCHEMBL758351 0.79 ALDH1A1 (1.00) ALDH1A1KDM4ELMNAGAAMAPT
SCHEMBL13993945 0.79 ALDH1A1 (0.65) ALDH1A1KDM4ELMNAGAAMAPT
Methane SCHEMBL28825813 0.77 CA1 (0.93) ALDH1A1KDM4ELMNAGAAMAPT

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-20100240908-A1 ACETYLENE COMPOUND FUJIFILM CORPORATION (JP) 2010-09-23 US disclosed
EP-2202221-A1 ACETYLENE COMPOUND Fujifilm Corporation (JP) 2010-06-30 EP 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-20100240908-A1 ACETYLENE COMPOUND NAT1, KATNA1, KAT2B ALDH1A1 401/4885KDM4E 3178/4885LMNA 1650/4885

“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.