SCHEMBL11328029

SCHEMBL11328029

CC(=O)/C(CC(C)C)=N\O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ HTT P42858 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ TSHR P16473 2/20 0.38
▸ CTDSP1 Q9GZU7 1/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ THRB P10828 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ PMP22 Q01453 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ KISS1R Q969F8 2/20 0.33
▸ ACHE P22303 1/20 0.31
▸ MMP1 P03956 1/20 0.30
▸ MMP2 P08253 1/20 0.30
▸ MMP3 P08254 1/20 0.30

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
SCHEMBL11328030 1.00 ALDH1A1 (0.48) ALDH1A1TDP1HTTCA2TSHR
SCHEMBL8862881 0.80 ALDH1A1 (0.42) ALDH1A1TDP1CA2SMN1; SMN2MMP1
SCHEMBL8862880 0.80 ALDH1A1 (0.42) ALDH1A1TDP1CA2SMN1; SMN2MMP1
SCHEMBL12906546 0.77 NPSR1 (0.46) ALDH1A1TDP1TSHRCYP2C19NPSR1
SCHEMBL11417638 0.75 ALDH1A1 (0.37) ALDH1A1TDP1HTTCA2SMN1; SMN2
SCHEMBL11417640 0.75 ALDH1A1 (0.37) ALDH1A1TDP1HTTCA2SMN1; SMN2
SCHEMBL11273548 0.73 — —
SCHEMBL28637253 0.72 APOBEC3A (0.46) ALDH1A1TDP1CA2TSHRNPSR1
SCHEMBL18885573 0.72 ALDH1A1 (0.39) ALDH1A1TDP1CA2
SCHEMBL21572866 0.71 ALDH1A1 (0.44) ALDH1A1TDP1CA2TSHRCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110021485-A1 INDOLE DERIVATIVES AND THEIR METAL CONJUGATES AND USES THEREOF VLIFE SCIENCES TECHNOLOGIES PVT. LTD. (IN) 2011-01-27 — — US disclosed
US-20110021485-A1 INDOLE DERIVATIVES AND THEIR METAL CONJUGATES AND USES THEREOF VLIFE SCIENCES TECHNOLOGIES PVT. LTD. (IN) 2011-01-27 — — US disclosed
US-7781480-B2 Indole derivatives and their metal conjugates and uses thereof VLIFE SCIENCES TECHNOLOGIES PVT. LTD. (IN) 2010-08-24 — — US disclosed
US-20080242652-A1 Indole derivatives and their metal conjugates and uses thereof VLIFE SCIENCES TECHNOLOGIES PVT. LTD. (IN) 2008-10-02 — — US disclosed
US-4303689-A Flavoring with pyrazine derivatives FIRMENICH SA (CH) 1981-12-01 — — US disclosed
US-4138410-A Flavoring agent FIRMENICH & CIE (CH) 1979-02-06 — — US disclosed
US-4126618-A FLAVOR ADDITIVES FOR FOODS AND BEVERAGES FIRMENICH & CIE (CH) 1978-11-21 — — US disclosed
US-4085109-A Pyridine sulfur flavoring agents FIRMENICH & CIE (CH) 1978-04-18 — — US disclosed
US-3989713-A Pyrrylmethylthio flavoring agents FIRMENICH & CIE (CH) 1976-11-02 — — US disclosed
US-3952026-A FLAVOR ADDITIVE FOR FOODS AND BEVERAGES FIRMENICH & CIE (CH) 1976-04-20 — — US disclosed
US-3952024-A FLAVOR ADDITIVE FOR FOODS AND BEVERAGES FIRMENICH & CIE (CH) 1976-04-20 — — US disclosed
US-3943260-A TETRAHYDRO-THIO-PHEN-3-ONES FIRMENICH & CIE (CH) 1976-03-09 — — US disclosed
US-3931245-A FURYLALKYLTHIOL CARBOXYLATES FIRMENICH & CIE (CH) 1976-01-06 — — US disclosed
US-3931166-A FLAVORANTS FIRMENICH & CIE (CH) 1976-01-06 — — US disclosed
US-3931246-A FURYLALKYL-THIOETHERS FIRMENICH & CIE (CH) 1976-01-06 — — 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 (2 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-20110021485-A1 INDOLE DERIVATIVES AND THEIR METAL CONJUGATES AND USES THEREOF IDO1, IDO2, INMT ALDH1A1 2752/4885TDP1 2460/4885HTT 1011/4885
US-20080242652-A1 Indole derivatives and their metal conjugates and uses thereof IDO1, IDO2, INMT ALDH1A1 2752/4885TDP1 2460/4885HTT 1011/4885

“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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