SCHEMBL19929840

SCHEMBL19929840

COC(=O)c1cc(C)cc2oc(-c3ccccc3)c(-c3cc(C)cc(OC)c3)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ ATM Q13315 1/20 0.44
▸ ADORA3 P0DMS8 1/20 0.42
▸ ALDH1A1 P00352 6/20 0.42
▸ HPGD P15428 5/20 0.42
▸ KDM4E B2RXH2 5/20 0.42
▸ NPC1 O15118 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ MAPT P10636 4/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ ABCB1 P08183 2/20 0.39
▸ ABCG2 Q9UNQ0 2/20 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
SCHEMBL19934809 0.89 ADORA3 (0.48) L3MBTL1ATMADORA3ALDH1A1HPGD
SCHEMBL19929844 0.84 ALDH1A1 (0.46) L3MBTL1ATMADORA3ALDH1A1HPGD
SCHEMBL19934782 0.81 ALDH1A1 (0.51) L3MBTL1ATMADORA3ALDH1A1HPGD
SCHEMBL30023352 0.80 RXRA (0.38) L3MBTL1ADORA3ALDH1A1HPGDKDM4E
SCHEMBL19934810 0.79 KDM4E (0.48) L3MBTL1ATMADORA3ALDH1A1HPGD
SCHEMBL28668413 0.77 MEN1 (0.47) ADORA3ALDH1A1HPGDKDM4ENPC1
SCHEMBL30022887 0.77 ALDH1A1 (0.50) L3MBTL1ATMADORA3ALDH1A1HPGD
SCHEMBL19929833 0.77 MAPT (0.53) ATMADORA3ALDH1A1HPGDNPC1
SCHEMBL28654877 0.77 ADORA3 (0.52) ADORA3ALDH1A1HPGDKDM4ENPC1
SCHEMBL30020913 0.75 MAPT (0.48) L3MBTL1ATMALDH1A1HPGDKDM4E

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-20180065945-A1 SYNTHESIS OF NOVEL ANALOGS OF DIPTOINDONESIN G, COMPOUNDS FORMED THEREBY, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM THE GOVERNMENT OF THE UNITED STATES, AS REPRESENTED BY THE SECRETARY OF THE ARMY 2018-03-08 — — 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-20180065945-A1 SYNTHESIS OF NOVEL ANALOGS OF DIPTOINDONESIN G, COMPOUNDS FORMED THEREBY, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM HPGDS, DPP7, DPEP1 L3MBTL1 3761/4885ATM 4708/4885ADORA3 1983/4885

“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.

Send feedback