SCHEMBL13617028

SCHEMBL13617028

CCCCOC(=O)[C@@H](C)Cc1ccc(C)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 3/20 0.42
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ ALOX15 P16050 1/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ PPARG P37231 1/20 0.39
▸ PPARA Q07869 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ MAPK1 P28482 1/20 0.38

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
SCHEMBL27794811 0.81 ESR1 (0.55) ESR1SMN1; SMN2CYP1A2CYP2C19L3MBTL1
SCHEMBL19248423 0.79 TSHR (0.54) HPGDL3MBTL1TDP1TSHRPPARG
SCHEMBL20929244 0.79 TSHR (0.54) HPGDL3MBTL1TDP1TSHRPPARG
SCHEMBL92793 0.79 TSHR (0.54) HPGDL3MBTL1TDP1TSHRPPARG
SCHEMBL16542996 0.78 ALOX15 (0.40) ESR1NPC1HPGDRAB9AALOX15
SCHEMBL12056217 0.76 S1PR1 (0.47) SMN1; SMN2ALOX15PPARGPPARA
SCHEMBL17739986 0.75 PSMB5 (0.43) SMN1; SMN2L3MBTL1TDP1TSHRALDH1A1
SCHEMBL14947104 0.75 TDP1 (0.47) ESR1SMN1; SMN2CYP2C9TDP1TSHR
SCHEMBL20272596 0.75 TDP1 (0.47) ESR1SMN1; SMN2CYP2C9TDP1TSHR
SCHEMBL12035915 0.74 EPHX2 (0.43) SMN1; SMN2NPC1RAB9AALOX15TSHR

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-20090285888-A1 DERIVATIVES OF DIHYDROXYPHENYLALANINE ELLNEUROXX LTD. (DE) 2009-11-19 — — 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-20090285888-A1 DERIVATIVES OF DIHYDROXYPHENYLALANINE HTT, NLN, SNCA ESR1 4385/4885SMN1; SMN2 58/4885NPC1 1220/4885

“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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