SCHEMBL19495005

SCHEMBL19495005

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.43
▸ POLB P06746 2/20 0.43
▸ MYC P01106 1/20 0.40
▸ FTO Q9C0B1 2/20 0.38
▸ FPR2 P25090 4/20 0.37
▸ KMT2A Q03164 5/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ ATM Q13315 1/20 0.36
▸ USP2 O75604 3/20 0.36
▸ TSHR P16473 2/20 0.36
▸ TGM2 P21980 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ BLM P54132 2/20 0.35
▸ PPARG P37231 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ NCOR2 Q9Y618 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ HPGD P15428 2/20 0.35

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
SCHEMBL12763951 0.86 POLB (0.50) KDM4EPOLBMYCFTOFPR2
SCHEMBL19494832 0.83 SOS1 (0.43) KDM4EPOLBFTOFPR2KMT2A
SCHEMBL19495004 0.82 L3MBTL1 (0.34) POLBFPR2KMT2AMEN1ATM
SCHEMBL19655000 0.82 GPR35 (0.38) KMT2AMEN1TGM2ALDH1A1MAPT
SCHEMBL19494774 0.80 USP2 (0.53) KDM4EPOLBFTOFPR2KMT2A
SCHEMBL18854256 0.79 FTO (0.51) KDM4EPOLBMYCFTOFPR2
SCHEMBL19655002 0.79 FTO (0.46) KDM4EPOLBFTOFPR2KMT2A
SCHEMBL17109310 0.79 ABCB1 (0.44) KDM4EPOLBFTOFPR2KMT2A
SCHEMBL26472325 0.78 FTO (0.42) KDM4EPOLBMYCFTOFPR2
SCHEMBL19494844 0.77 AR (0.46) KDM4EPOLBFTOFPR2KMT2A

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 3 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
EP-3235876-A1 QUENCHER Wako Pure Chemical Industries, Ltd. (JP) 2017-10-25 — — EP 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 KDM4E 3254/4885POLB 1849/4885MYC 1578/4885

“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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