SCHEMBL13078092

SCHEMBL13078092

C=C1OC(C)(C)C(OC(C)=O)=C(c2sc(-c3ccc(Cl)cc3)nc2C)C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 0.44
▸ SMN1; SMN2 Q16637 6/20 0.41
▸ KDM4E B2RXH2 6/20 0.41
▸ NPC1 O15118 5/20 0.41
▸ POLB P06746 1/20 0.41
▸ CASP3 P42574 1/20 0.41
▸ SENP8 Q96LD8 1/20 0.41
▸ SENP7 Q9BQF6 1/20 0.41
▸ SENP6 Q9GZR1 1/20 0.41
▸ MAPT P10636 6/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ NFKB2 Q00653 1/20 0.37

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
SCHEMBL13041568 0.84 RAB9A (0.48) RAB9ASMN1; SMN2KDM4ENPC1POLB
SCHEMBL13078148 0.69 PTGDR2 (0.42) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL11460720 0.66 RAB9A (0.58) RAB9ASMN1; SMN2KDM4ENPC1POLB
SCHEMBL27496708 0.65 KMT2A (0.64) RAB9ASMN1; SMN2KDM4ENPC1POLB
SCHEMBL9555379 0.63 ALOX5 (0.55) RAB9ASMN1; SMN2KDM4ENPC1POLB
SCHEMBL14874759 0.63 SMN1; SMN2 (0.64) RAB9ASMN1; SMN2KDM4ENPC1POLB
SCHEMBL16487522 0.63 KDM4E (0.41) RAB9ASMN1; SMN2KDM4ENPC1POLB
SCHEMBL8345831 0.63 RAB9A (0.86) RAB9ASMN1; SMN2KDM4ENPC1POLB
SCHEMBL1574466 0.63 RAB9A (1.00) RAB9ASMN1; SMN2KDM4ENPC1POLB
SCHEMBL13041525 0.63 KDM4E (0.46) RAB9ASMN1; SMN2KDM4ENPC1POLB

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-20100279868-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-11-04 — — 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-20100279868-A1 NOVEL HERBICIDES DDT, HPD, HSD17B1 RAB9A 4207/4885SMN1; SMN2 4435/4885KDM4E 2452/4885

“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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