SCHEMBL5605987

SCHEMBL5605987

Cc1cc(C)c(C(C)(C)CC(=O)O)c(OC(=O)CCCBr)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
CYP2C9 P11712 3/20 0.38
KMT2A Q03164 3/20 0.38
CYP1A2 P05177 2/20 0.38
MEN1 O00255 2/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
TSHR P16473 4/20 0.35
FABP4 P15090 1/20 0.35
VCAM1 P19320 2/20 0.33
MAPT P10636 3/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
LMNA P02545 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32

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
SCHEMBL24822044 0.88 ALOX15 (0.40) ALDH1A1KMT2AMEN1TSHRFABP4
SCHEMBL5605831 0.85 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2CYP2C9KMT2ACYP1A2
SCHEMBL642553 0.84 ACHE (0.40) ALDH1A1SMN1; SMN2CYP2C9KMT2ACYP1A2
SCHEMBL24603601 0.84 L3MBTL1 (0.36) ALDH1A1SMN1; SMN2CYP2C9KMT2ACYP1A2
SCHEMBL5605689 0.84 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2CYP2C9KMT2ACYP1A2
SCHEMBL22125713 0.84 ALOX5 (0.35) ALDH1A1SMN1; SMN2CYP2C9KMT2ACYP1A2
SCHEMBL17466596 0.83 FABP4 (0.36) ALDH1A1SMN1; SMN2CYP2C9KMT2ACYP1A2
SCHEMBL24326604 0.83 CYP2C9 (0.36) ALDH1A1SMN1; SMN2CYP2C9CYP1A2CYP2C19
SCHEMBL2515529 0.81 ELANE (0.37) ALDH1A1SMN1; SMN2CYP2C9CYP1A2CYP2C19
SCHEMBL29450106 0.81 ELANE (0.37) ALDH1A1SMN1; SMN2CYP2C9CYP1A2CYP2C19

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-7166594-B2 Antibacterial activity AVENTIS PHARMA S.A. (FR) 2007-01-23 US disclosed
US-20030149004-A1 Streptogramin derivatives, their preparation and compositions containing them AVENTIS PHARMA S.A. 2003-08-07 US disclosed
US-6569854-B1 Virginamycins AVENTIS PHARMA S.A. (FR) 2003-05-27 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-20030149004-A1 Streptogramin derivatives, their preparation and compositions containing them MRPL21, ABHD5, APEH ALDH1A1 4296/4885SMN1; SMN2 4757/4885CYP2C9 1095/4885

“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.