SCHEMBL2719064

SCHEMBL2719064

COc1cccc2c1NC(C)(C)C=C2C

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.51
▸ HSD17B10 Q99714 2/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ KDM4E B2RXH2 3/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ HPGD P15428 2/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ MAPT P10636 2/20 0.46
▸ NR3C1 P04150 14/20 0.45
▸ PGR P06401 4/20 0.44
▸ NR3C2 P08235 1/20 0.41
▸ AR P10275 1/20 0.41

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
SCHEMBL940184 0.84 ALDH1A1 (0.50) ALDH1A1HSD17B10CYP3A4TDP1KDM4E
SCHEMBL8024917 0.80 ALDH1A1 (0.56) ALDH1A1HSD17B10CYP3A4TDP1KDM4E
SCHEMBL10840500 0.77 ALDH1A1 (0.53) ALDH1A1HSD17B10CYP3A4TDP1KDM4E
SCHEMBL26649009 0.76 ALDH1A1 (0.51) ALDH1A1HSD17B10CYP3A4TDP1KDM4E
SCHEMBL6657633 0.76 ALDH1A1 (0.56) ALDH1A1HSD17B10CYP3A4TDP1KDM4E
SCHEMBL27305823 0.72 ALDH1A1 (0.41) ALDH1A1HSD17B10CYP3A4TDP1KDM4E
SCHEMBL4704892 0.71 PGR (0.59) ALDH1A1HSD17B10CYP3A4TDP1KDM4E
SCHEMBL4702454 0.71 NR3C1 (0.70) ALDH1A1HSD17B10CYP3A4TDP1NR3C1
SCHEMBL27478314 0.70 PGR (0.58) ALDH1A1HSD17B10CYP3A4TDP1KDM4E
SCHEMBL24972224 0.69 NR3C1 (0.54) NR3C1PGRNR3C2AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088785-B2 Therapeutic compound and treatments MEDISYN TECHNOLOGIES, INC. (US) 2012-01-03 — — US disclosed
US-8088785-B2 Therapeutic compound and treatments MEDISYN TECHNOLOGIES, INC. (US) 2012-01-03 — — US disclosed
US-20100137253-A1 THERAPEUTIC COMPOUND AND TREATMENTS MEDISYN TECHNOLOGIES, INC. (US) 2010-06-03 — — US disclosed
US-20100137253-A1 THERAPEUTIC COMPOUND AND TREATMENTS MEDISYN TECHNOLOGIES, INC. (US) 2010-06-03 — — US disclosed
US-7652029-B2 Therapeutic compound and treatments MEDISYN TECHNOLOGIES, INC. (US) 2010-01-26 — — US disclosed
US-7652029-B2 Therapeutic compound and treatments MEDISYN TECHNOLOGIES, INC. (US) 2010-01-26 — — 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-20100137253-A1 THERAPEUTIC COMPOUND AND TREATMENTS MDH1, MDH2, MBOAT7 ALDH1A1 2231/4885HSD17B10 1006/4885CYP3A4 3705/4885

“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.

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