SCHEMBL6609664

SCHEMBL6609664

COC(=O)CN(C(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.51
TSHR P16473 4/20 0.50
HPGD P15428 2/20 0.49
HTT P42858 1/20 0.47
ALDH1A1 P00352 3/20 0.46
POLB P06746 1/20 0.44
GLA P06280 1/20 0.44
MLYCD O95822 1/20 0.44
KDM4E B2RXH2 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LTB4R2 Q9NPC1 1/20 0.43
GAA P10253 1/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
KMT2A Q03164 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
SCHEMBL10937731 0.90 BACE1 (0.47) ADRA2CTSHRHPGDALDH1A1POLB
SCHEMBL6607753 0.84 SMN1; SMN2 (0.57) ADRA2CTSHRHPGDHTTALDH1A1
SCHEMBL5353769 0.83 ALDH1A1 (0.51) TSHRALDH1A1POLBGLAMLYCD
SCHEMBL8439016 0.83 ALDH1A1 (0.47) TSHRHPGDALDH1A1POLBGLA
SCHEMBL28294373 0.81 ALDH1A1 (0.46) TSHRALDH1A1POLBGLAMLYCD
SCHEMBL29873818 0.81 ALDH1A1 (0.46) TSHRHTTALDH1A1POLBGLA
SCHEMBL10527468 0.81 ATM (0.56) HTTALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL698882 0.80 ADRA2C (0.64) ADRA2CTSHRHPGDHTTALDH1A1
SCHEMBL6901524 0.80 MLYCD (0.50) TSHRALDH1A1GLAMLYCDSMN1; SMN2
SCHEMBL7119736 0.79 MLYCD (0.40) TSHRALDH1A1POLBGLAMLYCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1114815-B1 Process to prepare taxol UPJOHN CO (US) 2004-09-29 EP claimed
EP-1114815-A2 Process to prepare taxol PHARMACIA & UPJOHN COMPANY (US) 2001-07-11 EP claimed
EP-1114815-B1 Process to prepare taxol UPJOHN CO (US) 2004-09-29 EP disclosed
EP-1383771-A1 9-DEAZAGUANINE DERIVATIVES AS INHIBITORS OF GSK-3 Vertex Pharmaceuticals Incorporated (US) 2004-01-28 EP disclosed
EP-1352900-A1 Process to prepare taxol PHARMACIA & UPJOHN COMPANY (US) 2003-10-15 EP disclosed
EP-1352899-A1 Process to prepare taxol PHARMACIA & UPJOHN COMPANY (US) 2003-10-15 EP disclosed
US-20030096813-A1 Compositions useful as inhibitors of GSK-3 CAO JINGRONG (US) 2003-05-22 US disclosed
WO-2002085909-A1 9-DEAZAGUANINE DERIVATIVES AS INHIBITORS OF GSK-3 VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-10-31 WO disclosed
EP-0912504-B1 Oxazolidine ester UPJOHN CO (US) 2002-09-11 EP disclosed
US-6307064-B1 PHENYLISOSERINE ESTER OF SILYLATED BACCATIN III PHARMACIA & UPJOHN COMPANY 2001-10-23 US disclosed
EP-1114815-A2 Process to prepare taxol PHARMACIA & UPJOHN COMPANY (US) 2001-07-11 EP disclosed
US-6177573-B1 Process to prepare taxol PHARMACIA & UPJOHN COMPANY 2001-01-23 US disclosed
US-6057452-A Process to prepare taxol PHARMACIA & UPJOHN COMPANY 2000-05-02 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-20030096813-A1 Compositions useful as inhibitors of GSK-3 GSK3B, GSK3A, GSKIP ADRA2C 1884/4885TSHR 3679/4885HPGD 2365/4885

“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.