SCHEMBL12076388

SCHEMBL12076388

COc1ccc(COc2cc(C(=O)O)cc(OCc3ccc(OC)cc3)n2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.68
▸ SMN1; SMN2 Q16637 2/20 0.68
▸ NPC1 O15118 1/20 0.68
▸ POLB P06746 1/20 0.68
▸ PLA2G4B P0C869 1/20 0.59
▸ MRGPRX4 Q96LA9 2/20 0.57
▸ TP53 P04637 1/20 0.57
▸ PKM P14618 1/20 0.57
▸ NFKB1 P19838 1/20 0.57
▸ NFKB2 Q00653 1/20 0.57
▸ RELA Q04206 1/20 0.57
▸ RXFP1 Q9HBX9 1/20 0.57
▸ KDM5A P29375 1/20 0.54
▸ KDM4C Q9H3R0 1/20 0.54
▸ KDM5B Q9UGL1 1/20 0.54
▸ PDE2A O00408 1/20 0.53
▸ PPARA Q07869 1/20 0.53
▸ ALKBH1 Q13686 1/20 0.53
▸ FFAR1 O14842 2/20 0.52
▸ CA1 P00915 1/20 0.51

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
SCHEMBL1257063 0.87 KDM4C (0.63) RAB9ASMN1; SMN2NPC1POLBPLA2G4B
SCHEMBL30350651 0.87 KDM4C (0.63) RAB9ASMN1; SMN2NPC1POLBPLA2G4B
SCHEMBL16727048 0.84 RAB9A (0.55) RAB9ASMN1; SMN2NPC1POLBPLA2G4B
SCHEMBL1254744 0.82 RAB9A (0.68) RAB9ASMN1; SMN2NPC1POLBPLA2G4B
SCHEMBL30350652 0.82 RAB9A (0.68) RAB9ASMN1; SMN2NPC1POLBPLA2G4B
SCHEMBL12076214 0.82 MEN1 (0.67) SMN1; SMN2PLA2G4BMRGPRX4KDM5AKDM4C
SCHEMBL30046491 0.82 RAB9A (0.59) RAB9ASMN1; SMN2NPC1POLBPLA2G4B
SCHEMBL1186510 0.81 RAB9A (1.00) RAB9ASMN1; SMN2NPC1POLBPLA2G4B
SCHEMBL28335896 0.81 RAB9A (1.00) RAB9ASMN1; SMN2NPC1POLBPLA2G4B
SCHEMBL9356270 0.81 RAB9A (0.66) RAB9ASMN1; SMN2NPC1POLBPLA2G4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2495243-B1 NOVEL 5-FLUOROURACIL DERIVATIVE DELTA-FLY PHARMA INC (JP) 2016-12-28 — — EP disclosed
US-8889699-B2 5-fluorouracil derivative DELTA-FLY PHARMA, INC. (JP) 2014-11-18 — — US disclosed
US-20120232103-A1 NOVEL 5-FLUOROURACIL DERIVATIVE DELTA-FLY PHARMA, INC. (JP) 2012-09-13 — — US disclosed
EP-2495243-A1 NOVEL 5-FLUOROURACIL DERIVATIVE Delta-Fly Pharma, Inc. (JP) 2012-09-05 — — 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-20120232103-A1 NOVEL 5-FLUOROURACIL DERIVATIVE DPYD, FAU, MTHFD1 RAB9A 1813/4885SMN1; SMN2 3155/4885NPC1 2271/4885

“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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