SCHEMBL5605635

SCHEMBL5605635

Cc1cc(C)c(C(C)(C)CCO[Si](C)(C)C(C)(C)C)c(OC(=O)CCCBr)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
TSHR P16473 2/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
TTR P02766 1/20 0.31
CYP2C8 P10632 1/20 0.31

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
SCHEMBL28527043 0.95 ALDH1A1 (0.34) ALDH1A1CYP1A2CYP2C9SMN1; SMN2MEN1
SCHEMBL18613472 0.92 MAPT (0.33) ALDH1A1CYP1A2CYP2C9SMN1; SMN2MEN1
SCHEMBL28527045 0.92 TSHR (0.36) ALDH1A1CYP1A2CYP2C9SMN1; SMN2MEN1
SCHEMBL24822046 0.90 TOP2A (0.36) SMN1; SMN2KMT2AALOX15CNR1CNR2
SCHEMBL18613473 0.88 TSHR (0.34) ALDH1A1CYP1A2CYP2C9SMN1; SMN2TSHR
SCHEMBL28720301 0.86 ALOX5 (0.33) ALDH1A1CYP1A2CYP2C9SMN1; SMN2MEN1
SCHEMBL20624632 0.84 ELANE (0.32) ALDH1A1CYP1A2CYP2C9SMN1; SMN2TSHR
SCHEMBL5605640 0.84 TSHR (0.33) CYP1A2CYP2C9SMN1; SMN2TSHRCNR1
SCHEMBL20624670 0.83 TTR (0.31) CYP1A2CYP2C9SMN1; SMN2TSHRTTR
SCHEMBL18114041 0.83 ELANE (0.39) ALDH1A1CYP1A2CYP2C9SMN1; SMN2TSHR

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 4296/4885CYP1A2 1181/4885CYP2C9 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.