SCHEMBL2809409

SCHEMBL2809409

[CH2]c1cc(C)cc([CH2])c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.50
SELL P14151 1/20 0.50
SELP P16109 1/20 0.50
SELE P16581 1/20 0.50
ALDH1A1 P00352 5/20 0.45
CA2 P00918 2/20 0.42
POLB P06746 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TYR P14679 1/20 0.42
KDM4E B2RXH2 2/20 0.40
GAA P10253 2/20 0.40
MAPT P10636 2/20 0.40
ERN1 O75460 2/20 0.40
LMNA P02545 1/20 0.40
GPR35 Q9HC97 1/20 0.37
CA1 P00915 1/20 0.36
APEX1 P27695 1/20 0.36
MPI P34949 1/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL3641181 0.86 ALDH1A1 (0.52) ACHESELLSELPSELEALDH1A1
SCHEMBL8800726 0.80 ACHE (0.65) ACHESELLSELPSELEALDH1A1
SCHEMBL5612593 0.78 SMN1; SMN2 (0.71) ALDH1A1CA2POLBSMN1; SMN2TYR
SCHEMBL5872206 0.77 AMY1A (0.37) ACHESELLSELPSELEALDH1A1
SCHEMBL395136 0.73 RAPGEF4 (0.39) ACHEALDH1A1CA2KDM4EGAA
SCHEMBL28040382 0.71 RAPGEF4 (0.38) ACHEALDH1A1SMN1; SMN2KDM4EGAA
SCHEMBL2637723 0.69
SCHEMBL5610281 0.69 CA1 (0.43) ACHESELLSELPSELEALDH1A1
SCHEMBL36529 0.67 ALDH1A1 (0.65) ACHESELLSELPSELEALDH1A1
SCHEMBL69718 0.67 ACHE (1.00) ACHESELLSELPSELEALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100240713-A1 AROMATIC AND HETEROAROMATIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2010-09-23 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-20100240713-A1 AROMATIC AND HETEROAROMATIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS SLC40A1, PAH, FECH ACHE 4668/4885SELL 3555/4885SELP 3005/4885

“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.