SCHEMBL3146758

SCHEMBL3146758

CC[CH]OC(=O)c1ccco1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.49
MAPT P10636 1/20 0.48
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
ALDH1A1 P00352 5/20 0.46
GAA P10253 1/20 0.45
HTT P42858 1/20 0.45
NPC1 O15118 2/20 0.44
PTPN2 P17706 1/20 0.44
PTPN1 P18031 1/20 0.44
PTPN6 P29350 1/20 0.44
PTPN11 Q06124 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
RAB9A P51151 1/20 0.43

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
SCHEMBL11816269 0.87 KMT2A (0.49) KMT2AMAPTCES2CES1ALDH1A1
SCHEMBL7756386 0.80 KMT2A (0.53) KMT2AMAPTCES2CES1ALDH1A1
SCHEMBL1769910 0.78 KMT2A (0.55) KMT2AMAPTCES2CES1ALDH1A1
SCHEMBL859237 0.77 NPC1 (0.61) KMT2AMAPTALDH1A1HTTNPC1
SCHEMBL1203665 0.77 KMT2A (0.53) KMT2AMAPTCES2CES1ALDH1A1
SCHEMBL7082818 0.75 KMT2A (0.51) KMT2AMAPTCES2CES1ALDH1A1
SCHEMBL28204092 0.75 NPC1 (0.60) KMT2AMAPTALDH1A1HTTNPC1
Hydrochloric Acid SCHEMBL27676954 0.75 NPC1 (0.60) KMT2AMAPTALDH1A1HTTNPC1
SCHEMBL7958265 0.75 KMT2A (0.49) KMT2AMAPTCES2CES1ALDH1A1
Acetic Acid SCHEMBL27592037 0.75 PTPN1 (0.50) KMT2AMAPTCES2CES1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2197879-B1 C7-SUBSTITUTED CAMPTOTHECIN ANALOGS BIONUMERIK PHARMACEUTICALS INC (US) 2014-01-22 EP claimed
EP-2197879-A1 C7-SUBSTITUTED CAMPTOTHECIN ANALOGS BIONUMERIK PHARMACEUTICALS, INC. (US) 2010-06-23 EP claimed
US-7687496-B2 C7-substituted camptothecin analogs BIONUMERIK PHARMACEUTICALS, INC. (US) 2010-03-30 US claimed
WO-2009051580-A1 C7-SUBSTITUTED CAMPTOTHECIN ANALOGS BIONUMERIK PHARMACEUTICALS, INC. (US) 2009-04-23 WO claimed
US-20090099224-A1 C7- substituted camptothecin analogs BIONUMERIK PHARMACEUTICALS, INC. 2009-04-16 US claimed

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-20090099224-A1 C7- substituted camptothecin analogs ABCB1, ABCC1, ABCG2 KMT2A 4548/4885MAPT 4513/4885CES2 721/4885

“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.