SCHEMBL11210106

SCHEMBL11210106

CC(C)OCc1cccc(N)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.47
MAOA P21397 2/20 0.47
CYP19A1 P11511 1/20 0.46
ADRB2 P07550 4/20 0.41
CYP3A4 P08684 3/20 0.41
CASP1 P29466 1/20 0.41
RECQL P46063 1/20 0.41
IDO1 P14902 2/20 0.40
TP53 P04637 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
ACHE P22303 1/20 0.40
ALDH1A1 P00352 2/20 0.39
ABHD6 Q9BV23 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CA14 Q9ULX7 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
SCHEMBL18217414 0.89 MAOB (0.47) MAOBMAOACYP19A1ADRB2CYP3A4
SCHEMBL646907 0.86 IDO1 (0.42) MAOACYP3A4IDO1
SCHEMBL7553211 0.84 MAOB (0.43) MAOBMAOACYP19A1ADRB2MRGPRX4
SCHEMBL7940106 0.81 MAOB (0.41) MAOBMAOACYP19A1ADRB2MRGPRX4
SCHEMBL17214612 0.81 ENPP2 (0.48) MAOBCYP3A4IDO1MRGPRX4ALDH1A1
SCHEMBL2133191 0.79 TACR1 (0.33) ALDH1A1
SCHEMBL14886811 0.79 MAOB (0.42) MAOBMAOACYP19A1ADRB2CYP3A4
SCHEMBL10226540 0.78 TP53 (0.39) IDO1TP53ALDH1A1TDP1
SCHEMBL8750484 0.78 IDO1 (0.60) MAOBMAOAIDO1ACHEALDH1A1
SCHEMBL10819591 0.78 ENPP2 (0.50) CYP3A4

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-20180170883-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME MEMORIAL SLOAN KETTERING CANCER CENTER 2018-06-21 US disclosed
US-4348223-A FOR PREEMERGENT AND POSTEMERGENT APPLICATION PPG INDUSTRIES, INC. (US) 1982-09-07 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-20180170883-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME HSPA2, HSP90AA1, HSP90AB1 MAOB 2862/4885MAOA 2663/4885CYP19A1 2527/4885

“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.