SCHEMBL6929064

SCHEMBL6929064

OCCCC=CCCC=CCCCO

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
TSHR P16473 2/20 0.33
TOP1 P11387 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CNR1 P21554 2/20 0.31
LMNA P02545 2/20 0.30
HSD17B10 Q99714 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL212375 0.96 TSHR (0.35) ALDH1A1TSHRSMN1; SMN2CNR1LMNA
SCHEMBL212374 0.96 TSHR (0.35) ALDH1A1TSHRSMN1; SMN2CNR1LMNA
SCHEMBL2903107 0.96 TSHR (0.35) ALDH1A1TSHRSMN1; SMN2CNR1LMNA
SCHEMBL1009436 0.89
SCHEMBL1009437 0.89
SCHEMBL24541143 0.86 LMNA (0.40) ALDH1A1TSHRTOP1CNR1LMNA
SCHEMBL887929 0.86 LMNA (0.40) ALDH1A1TSHRCNR1LMNAHSD17B10
SCHEMBL164212 0.86
SCHEMBL25311340 0.86
SCHEMBL1010143 0.86

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-6515154-B2 Acetoacetic acid derivatives, process for their preparation and their use BASF AKTIENGESELLSCHAFT (DE) 2003-02-04 US disclosed
US-20010056195-A1 Acetoacetic acid derivatives, process for their preparation and their use BASF AKTIENGESELLSCHAFT (DE) 2001-12-27 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-20010056195-A1 Acetoacetic acid derivatives, process for their preparation and their use ACMSD, MLYCD, HADHB ALDH1A1 20/4885TSHR 3368/4885TOP1 2640/4885

“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.