SCHEMBL89408

SCHEMBL89408

CCOCCN1C(=O)C(C)(C)Oc2ccc(C)cc21

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
MAPT P10636 2/20 0.48
RECQL P46063 1/20 0.48
USP2 O75604 1/20 0.45
ALOX15 P16050 1/20 0.45
REN P00797 5/20 0.45
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
POLB P06746 4/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 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
SCHEMBL89392 0.91 MAPT (0.45) ALDH1A1MAPTRECQLUSP2ALOX15
SCHEMBL89102 0.87 REN (0.51) ALDH1A1MAPTRECQLUSP2ALOX15
SCHEMBL1911340 0.86 REN (0.47) ALDH1A1MAPTRECQLUSP2ALOX15
SCHEMBL13091047 0.85 ALDH1A1 (0.47) ALDH1A1MAPTRECQLUSP2ALOX15
SCHEMBL13434192 0.84 ALDH1A1 (0.43) ALDH1A1MAPTRECQLUSP2ALOX15
SCHEMBL89093 0.84 POLB (0.47) ALDH1A1MAPTRECQLUSP2ALOX15
SCHEMBL89417 0.82 REN (0.59) ALDH1A1MAPTRECQLUSP2ALOX15
SCHEMBL89091 0.82 REN (0.46) ALDH1A1MAPTRECQLUSP2ALOX15
SCHEMBL89090 0.82 MAPT (0.48) ALDH1A1MAPTRECQLUSP2ALOX15
SCHEMBL13434190 0.81 REN (0.56) ALDH1A1MAPTRECQLRENHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 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-20090192148-A1 Organic Compounds REN, ACE, AGTR1 ALDH1A1 38/4885MAPT 1089/4885RECQL 657/4885

“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.