SCHEMBL5637531

SCHEMBL5637531

CCOC(=O)C=CCCCOc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.68
TDP1 Q9NUW8 1/20 0.56
HDAC1 Q13547 2/20 0.52
HDAC2 Q92769 2/20 0.52
ALDH1A1 P00352 4/20 0.50
RAB9A P51151 3/20 0.49
NPC1 O15118 3/20 0.49
THRB P10828 2/20 0.49
LMNA P02545 2/20 0.49
GAA P10253 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48

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
SCHEMBL5637525 1.00 MAPT (0.68) MAPTTDP1HDAC1HDAC2ALDH1A1
SCHEMBL5639213 1.00 MAPT (0.68) MAPTTDP1HDAC1HDAC2ALDH1A1
SCHEMBL11307873 0.94 MAPT (0.59) MAPTTDP1HDAC1HDAC2ALDH1A1
SCHEMBL5208826 0.86 CA12 (0.56) MAPTTDP1RAB9ANPC1SMN1; SMN2
SCHEMBL11034024 0.85 HCAR2 (0.56) MAPTTDP1HDAC1HDAC2ALDH1A1
SCHEMBL5640723 0.82 HDAC1 (0.58) TDP1HDAC1HDAC2ALDH1A1THRB
SCHEMBL5640719 0.82 HDAC1 (0.58) TDP1HDAC1HDAC2ALDH1A1THRB
SCHEMBL5691251 0.81 MAPT (0.63) MAPTTDP1ALDH1A1RAB9ANPC1
SCHEMBL5691253 0.81 MAPT (0.63) MAPTTDP1ALDH1A1RAB9ANPC1
SCHEMBL13236867 0.79 SMN1; SMN2 (0.50) MAPTTDP1ALDH1A1LMNASMN1; SMN2

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
US-7229987-B2 Multicyclic compounds for use as melanin concentrating hormone antagonists in the treatment of obesity and diabetes ELI LILLY AND COMPANY (US) 2007-06-12 US disclosed
US-20050272718-A1 Multicyclic compounds for use as melanin concentrating hormone antagonists in the treatment of obesity and diabetes AMMENN ET AL, JOCHEN 2005-12-08 US disclosed
EP-1505968-A1 MULTICYCLIC COMPOUNDS FOR USE AS MELANIN CONCENTRATING HORMONE ANTAGONISTS IN THE TREATMENT OF OBESITY AND DIABETES ELI LILLY AND COMPANY (US) 2005-02-16 EP disclosed
WO-2003097047-A1 MULTICYCLIC COMPOUNDS FOR USE AS MELANIN CONCENTRATING HORMONE ANTAGONISTS IN THE TREATMENT OF OBESITY AND DIABETES ELI LILLY AND COMPANY (US) 2003-11-27 WO 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-20050272718-A1 Multicyclic compounds for use as melanin concentrating hormone antagonists in the treatment of obesity and diabetes MC1R, MC4R, MC5R MAPT 2221/4885TDP1 2952/4885HDAC1 1649/4885

“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.