SCHEMBL6969247

SCHEMBL6969247

CC1COc2cc(NC(=O)OCc3ccccc3)ccc2N1C(=O)OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.57
TSHR P16473 2/20 0.57
NPC1 O15118 1/20 0.57
TP53 P04637 1/20 0.57
MAPT P10636 1/20 0.57
RAB9A P51151 1/20 0.57
ATM Q13315 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
ROCK2 O75116 2/20 0.49
MGLL Q99685 2/20 0.46
KDM1A O60341 2/20 0.44
MAOA P21397 2/20 0.44
MAOB P27338 2/20 0.44
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44
HRH3 Q9Y5N1 2/20 0.44
RCOR1 Q9UKL0 1/20 0.43
DGAT1 O75907 1/20 0.43
HTR2C P28335 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL6961311 0.82 TSHR (0.49) ALDH1A1TSHRNPC1TP53MAPT
SCHEMBL6963286 0.81 ALDH1A1 (0.47) ALDH1A1TSHRNPC1TP53MAPT
SCHEMBL8116943 0.77 TSHR (0.61) ALDH1A1TSHRNPC1TP53MAPT
SCHEMBL6532124 0.76 NPC1 (0.60) ALDH1A1TSHRNPC1TP53MAPT
SCHEMBL6529833 0.76 NPC1 (0.59) ALDH1A1TSHRNPC1TP53MAPT
SCHEMBL3029392 0.75 TSHR (0.50) ALDH1A1TSHRNPC1TP53MAPT
SCHEMBL8133353 0.75 NPC1 (0.58) ALDH1A1TSHRNPC1TP53MAPT
SCHEMBL6965821 0.74 MAOA (0.45) MAOAMAOBHTR2CPTGDR2
SCHEMBL27459662 0.74 MAOA (0.45) MAOAMAOBHTR2CPTGDR2
SCHEMBL27475288 0.74 MAOA (0.45) MAOAMAOBHTR2CPTGDR2

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
EP-1181288-B1 BICYCLIC OXAZOLIDINONES AS ANTIBACTERIAL AGENT UPJOHN CO (US) 2003-07-30 EP disclosed
US-20020143009-A1 Novel bicyclic oxazolidinones as antibacterial agents PHARMACIA & UPJOHN 2002-10-03 US disclosed
US-6387896-B1 GRAMNEGATIVE, GRAMPOSITVE BACTERIA PHARMACIA & UPJOHN CO. 2002-05-14 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-20020143009-A1 Novel bicyclic oxazolidinones as antibacterial agents OXA1L, MRPL21, RPS4Y1 ALDH1A1 1430/4885TSHR 4301/4885NPC1 1638/4885

“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.