SCHEMBL5708115

SCHEMBL5708115

C#CCOC(=O)N1C(c2ccccc2)C(C(=O)O)OC1(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.37
TSHR P16473 4/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
ALDH1A1 P00352 4/20 0.33
FNTA P49354 2/20 0.33
FNTB P49356 2/20 0.33
TAAR1 Q96RJ0 1/20 0.33
HPGD P15428 1/20 0.33
MDM2 Q00987 1/20 0.32
BCHE P06276 2/20 0.31
MAOB P27338 1/20 0.31
KDM1A O60341 1/20 0.31
GPBAR1 Q8TDU6 1/20 0.31
HTR2C P28335 1/20 0.30
ACHE P22303 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL7763589 0.83 HTR2C (0.47) NPC1CYP2C19ALDH1A1HTR2C
SCHEMBL7468424 0.83 HTR2C (0.47) NPC1CYP2C19ALDH1A1HTR2C
SCHEMBL2339025 0.81 PPARG (0.41) TSHRCYP3A4CYP2C19ALDH1A1BCHE
SCHEMBL2361551 0.81 MDM2 (0.34) TSHRALDH1A1MDM2HTR2C
SCHEMBL7970669 0.79 HTR2C (0.43) NPC1ALDH1A1HTR2C
SCHEMBL7668068 0.78 ABCB1 (0.42) BCHEKDM1AKDM4E
SCHEMBL7489317 0.78 ABCB1 (0.42) BCHEKDM1AKDM4E
SCHEMBL16237602 0.78 ABCB1 (0.42) BCHEKDM1AKDM4E
SCHEMBL286796 0.78 ABCB1 (0.42) BCHEKDM1AKDM4E
SCHEMBL7489323 0.78 ABCB1 (0.42) BCHEKDM1AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1370541-B1 METHOD OF PREPARATION OF PACLITAXEL (TAXOL) USING 3-(ALK-2-YNYLOXY) CARBONYL-5-OXAZOLIDINE CARBOXYLIC ACID DABUR INDIA LTD (IN) 2006-11-02 EP disclosed
EP-1370541-A1 METHOD OF PREPARATION OF PACLITAXEL (TAXOL) USING 3-(ALK-2-YNYLOXY) CARBONYL-5-OXAZOLIDINE CARBOXYLIC ACID Dabur India Limited (IN) 2003-12-17 EP disclosed
US-20030013888-A1 METHOD OF PREPARATION OF PACLITAXEL (TAXOL) USING 3-(ALK-2-YNYLOXY) CARBONYL-5-OXAZOLIDINE CARBOXYLIC ACID DABUR PHARMA LIMITED (IN) 2003-01-16 US disclosed
US-6506905-B1 Taxol intermediates DABUR INDIA LIMITED (IN) 2003-01-14 US disclosed
WO-2002066448-A1 METHOD OF PREPARATION OF PACLITAXEL (TAXOL) USING 3-(ALK-2-YNYLOXY) CARBONYL-5-OXAZOLIDINE CARBOXYLIC ACID DABUR INDIA LIMITED (IN) 2002-08-29 WO 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-20030013888-A1 METHOD OF PREPARATION OF PACLITAXEL (TAXOL) USING 3-(ALK-2-YNYLOXY) CARBONYL-5-OXAZOLIDINE CARBOXYLIC ACID ALK, AHR, PDGFRA NPC1 3025/4885TSHR 1022/4885CYP1A2 439/4885

“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.