SCHEMBL19655000

SCHEMBL19655000

CC[N+](CC)=c1ccc2c(-c3ccccc3C(=O)O)c3c(OC)c(OC)c(OC)cc3oc-2c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GPR35 Q9HC97 2/20 0.38
▸ CYP1A1 P04798 1/20 0.37
▸ CYP1B1 Q16678 1/20 0.37
▸ ABCB1 P08183 3/20 0.37
▸ ACHE P22303 1/20 0.37
▸ TGM2 P21980 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ MDM2 Q00987 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ABCG2 Q9UNQ0 1/20 0.36

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
SCHEMBL19655001 0.84 MAPT (0.35) ABCB1ACHEMAPTALDH1A1
SCHEMBL19495005 0.82 KDM4E (0.43) ABCB1TGM2MAPTALDH1A1MEN1
SCHEMBL19655019 0.80 USP2 (0.43) GPR35ABCB1TGM2MAPTMEN1
SCHEMBL19494844 0.79 AR (0.46) ABCB1MAPTALDH1A1MEN1KMT2A
SCHEMBL19494880 0.79 ABCB1 (0.45) ABCB1TGM2MAPTALDH1A1MEN1
SCHEMBL19494832 0.79 SOS1 (0.43) CYP1A1TGM2MAPTALDH1A1MEN1
SCHEMBL12763951 0.76 POLB (0.50) ABCB1TGM2MAPTMEN1KMT2A
SCHEMBL19494774 0.76 USP2 (0.53) ABCB1TGM2MAPTALDH1A1MEN1
SCHEMBL17109310 0.75 ABCB1 (0.44) ABCB1TGM2MAPTMEN1KMT2A
SCHEMBL18854256 0.75 FTO (0.51) ABCB1TGM2MAPTALDH1A1MEN1

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-20170342031-A1 QUENCHER WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2017-11-30 — — US disclosed
US-20170342031-A1 QUENCHER WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2017-11-30 — — 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-20170342031-A1 QUENCHER AHR, GFER, AKR1A1 GPR35 1095/4885CYP1A1 10/4885CYP1B1 20/4885

“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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