SCHEMBL11963564

SCHEMBL11963564

CCCC1(O)CCCC1C(=O)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
FKBP1A P62942 6/20 0.42
ALDH1A1 P00352 2/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
FABP7 O15540 1/20 0.39
FABP5 Q01469 1/20 0.39
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
CYP3A4 P08684 2/20 0.39
MAPK1 P28482 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL1665967 0.82 TSHR (0.43) TSHRFKBP1AALDH1A1FABP7FABP5
SCHEMBL1665886 0.81 TSHR (0.42) TSHRFKBP1AFABP7FABP5DDB1
SCHEMBL1666320 0.81 SYK (0.44) TSHRFKBP1ASMN1; SMN2L3MBTL1
SCHEMBL8323846 0.78 TSHR (0.47) TSHRFKBP1AALDH1A1FABP7FABP5
SCHEMBL27625933 0.78 ALDH1A1 (0.46) TSHRFKBP1AALDH1A1CHRM2CHRM4
SCHEMBL29845815 0.75 FKBP1A (0.46) TSHRFKBP1AALDH1A1FABP7FABP5
SCHEMBL24410821 0.74 TSHR (0.49) TSHRFKBP1AALDH1A1FABP7FABP5
SCHEMBL18656644 0.74 ALDH1A1 (0.51) TSHRALDH1A1FABP7FABP5CYP3A4
SCHEMBL29845766 0.74 FKBP1A (0.47) TSHRFKBP1AALDH1A1FABP7FABP5
SCHEMBL6380145 0.74 FKBP1A (0.47) TSHRFKBP1AALDH1A1FABP7FABP5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9221819-B2 Spirocyclic compounds as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2015-12-29 US disclosed
US-8877749-B2 Spirocyclic compounds as modulators of chemokine receptor activity Bristol-Myers Squibbs Company (US) 2014-11-04 US disclosed
US-20120202802-A1 SPIROCYCLIC COMPOUNDS AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2012-08-09 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-20120202802-A1 SPIROCYCLIC COMPOUNDS AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCR1, CXCR1, CCR7 TSHR 746/4885FKBP1A 405/4885ALDH1A1 276/4885

“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.