SCHEMBL19251337

SCHEMBL19251337

CC(=O)c1cccc(COC(C)(C)C)c1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAOB P27338 17/20 0.53
MAOA P21397 4/20 0.51
MRGPRX4 Q96LA9 2/20 0.50
SLC7A5 Q01650 1/20 0.46

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
SCHEMBL21015601 0.87 MRGPRX4 (0.57) MRGPRX4
SCHEMBL19240356 0.85 MRGPRX4 (0.49) MAOBMRGPRX4SLC7A5
SCHEMBL19935010 0.85 MRGPRX4 (0.44) MAOBMRGPRX4SLC7A5
SCHEMBL19240347 0.83 SLC7A5 (0.40) MAOBMRGPRX4SLC7A5
SCHEMBL6667400 0.83 MAOB (0.55) MAOBMAOAMRGPRX4
SCHEMBL21015931 0.83 SMN1; SMN2 (0.46) MRGPRX4SLC7A5
SCHEMBL6665880 0.82 MAOB (0.58) MAOBMAOAMRGPRX4
SCHEMBL3149977 0.81 MAOB (0.57) MAOBMAOAMRGPRX4
SCHEMBL646850 0.80 IDO1 (0.42) MRGPRX4
SCHEMBL7053494 0.79 MAOB (0.55) MAOBMAOAMRGPRX4

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-10647683-B2 Hsp70 modulators and methods for making and using the same MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2020-05-12 US disclosed
US-20190241526-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME MEMORIAL SLOAN KETTERING CANCER CENTER 2019-08-08 US disclosed
US-20180170883-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME MEMORIAL SLOAN KETTERING CANCER CENTER 2018-06-21 US disclosed
US-9878987-B2 HSP70 modulators and methods for making and using the same MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2018-01-30 US disclosed
US-20170233352-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME MEMORIAL SLOAN KETTERING CANCER CENTER 2017-08-17 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 (4 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-20190241526-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME HSPA2, HSP90AA1, HSP90AB1 MAOB 2862/4885MAOA 2663/4885MRGPRX4 4372/4885
US-20180170883-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME HSPA2, HSP90AA1, HSP90AB1 MAOB 2862/4885MAOA 2663/4885MRGPRX4 4372/4885
US-20170233352-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME HSPA2, HSP90AA1, HSP90AB1 MAOB 3113/4885MAOA 2855/4885MRGPRX4 4382/4885
US-10647683-B2 Hsp70 modulators and methods for making and using the same HSPA2, HSP90AA1, HSP90AB1 MAOB 2862/4885MAOA 2663/4885MRGPRX4 4372/4885

“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.