SCHEMBL19929844

SCHEMBL19929844

COc1ccc(-c2oc3cc(C)cc(C(=O)O)c3c2-c2cc(C)cc(OC)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.46
▸ HPGD P15428 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ ADORA3 P0DMS8 2/20 0.44
▸ ABCG2 Q9UNQ0 1/20 0.44
▸ MAPT P10636 2/20 0.42
▸ GPR35 Q9HC97 2/20 0.42
▸ SLC22A2 O15244 1/20 0.42
▸ SLC22A1 O15245 1/20 0.42
▸ CYP1A2 P05177 2/20 0.41
▸ CYP1A1 P04798 1/20 0.41
▸ ABCB1 P08183 1/20 0.41
▸ MAOA P21397 1/20 0.41
▸ CYP1B1 Q16678 1/20 0.41
▸ FTO Q9C0B1 1/20 0.41
▸ CSNK2A2 P19784 1/20 0.41
▸ CSNK2B P67870 1/20 0.41
▸ CSNK2A1 P68400 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 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
SCHEMBL30022887 0.93 ALDH1A1 (0.50) ALDH1A1HPGDKDM4EPOLBADORA3
SCHEMBL30023352 0.89 RXRA (0.38) ALDH1A1HPGDKDM4EPOLBADORA3
SCHEMBL28654875 0.88 KDM4E (0.50) ALDH1A1HPGDKDM4EPOLBADORA3
SCHEMBL30022955 0.88 KDM4E (0.50) ALDH1A1HPGDKDM4EPOLBADORA3
SCHEMBL30023283 0.88 KDM4E (0.45) ALDH1A1HPGDKDM4EPOLBADORA3
SCHEMBL28680766 0.88 KDM4E (0.45) ALDH1A1HPGDKDM4EPOLBADORA3
SCHEMBL28677868 0.88 KDM4E (0.45) ALDH1A1HPGDKDM4EPOLBADORA3
SCHEMBL30023247 0.88 KDM4E (0.45) ALDH1A1HPGDKDM4EPOLBADORA3
SCHEMBL19929840 0.84 L3MBTL1 (0.44) ALDH1A1HPGDKDM4EPOLBADORA3
SCHEMBL30022568 0.83 GPR35 (0.48) ALDH1A1HPGDKDM4EPOLBADORA3

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 ALDH1A1 2161/4885HPGD 61/4885KDM4E 3016/4885

“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