SCHEMBL5633935

SCHEMBL5633935

CCCCOCCC#CC=O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.40
CYP3A4 P08684 2/20 0.39
HPGD P15428 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ATM Q13315 1/20 0.32
MEN1 O00255 1/20 0.32
THRB P10828 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPT P10636 1/20 0.32
CES2 O00748 1/20 0.31
ALDH1A1 P00352 1/20 0.30
ADRB2 P07550 1/20 0.30
ADRB1 P08588 1/20 0.30
ADRB3 P13945 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
SCHEMBL953772 0.78
SCHEMBL477611 0.76
SCHEMBL9625775 0.74 HMGCR (0.47) TSHRHPGDSMN1; SMN2MEN1KMT2A
SCHEMBL4130265 0.74 HMGCR (0.47) TSHRHPGDSMN1; SMN2MEN1KMT2A
SCHEMBL2395808 0.74 HMGCR (0.47) TSHRHPGDSMN1; SMN2MEN1KMT2A
SCHEMBL10892322 0.74 HMGCR (0.47) TSHRHPGDSMN1; SMN2MEN1KMT2A
SCHEMBL1399964 0.74 HMGCR (0.47) TSHRHPGDSMN1; SMN2MEN1KMT2A
SCHEMBL29074826 0.73 TSHR (0.46) TSHRCYP3A4MAPTALDH1A1
SCHEMBL28230770 0.73 TSHR (0.55) TSHRCYP3A4HPGDSMN1; SMN2ATM
SCHEMBL825898 0.73

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-7179804-B2 Tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 2007-02-20 US disclosed
US-20050239776-A1 Tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 2005-10-27 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-20050239776-A1 Tachykinin receptor antagonists TACR2, TACR1, PROKR1 TSHR 337/4885CYP3A4 3767/4885HPGD 1369/4885

“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.