SCHEMBL3979543

SCHEMBL3979543

[Pd].c1ccc2c(c1)[nH]c1cccc(OCC3CO3)c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
GLA P06280 1/20 0.51
ADRB2 P07550 7/20 0.46
DNM1 Q05193 2/20 0.45
TDP1 Q9NUW8 2/20 0.44
DHFR P00374 1/20 0.44
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HIF1A Q16665 1/20 0.43
ADRB3 P13945 5/20 0.43
ADRB1 P08588 3/20 0.43
TLR4 O00206 4/20 0.42
BCHE P06276 1/20 0.42
CHRNB2 P17787 1/20 0.42
ACHE P22303 1/20 0.42
CHRNA7 P36544 1/20 0.42
CHRNA4 P43681 1/20 0.42
IMPDH2 P12268 1/20 0.41

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
SCHEMBL1351843 0.99 ALDH1A1 (0.53) ALDH1A1GLAADRB2DNM1TDP1
SCHEMBL2997257 0.99 ALDH1A1 (0.53) ALDH1A1GLAADRB2DNM1TDP1
SCHEMBL29363243 0.99 ALDH1A1 (0.53) ALDH1A1GLAADRB2DNM1TDP1
SCHEMBL619267 0.99 ALDH1A1 (0.53) ALDH1A1GLAADRB2DNM1TDP1
SCHEMBL25385740 0.95 ALDH1A1 (0.49) ALDH1A1GLAADRB2DNM1TDP1
SCHEMBL28440988 0.85 ADRB2 (0.51) ADRB2DNM1TDP1ADRB3ADRB1
SCHEMBL5830324 0.83 ALDH1A1 (0.44) ALDH1A1GLATDP1DHFRTP53
SCHEMBL1325534 0.82 ALDH1A1 (0.53) ALDH1A1GLAADRB2TDP1DHFR
SCHEMBL30301228 0.82 ALDH1A1 (0.53) ALDH1A1GLAADRB2TDP1DHFR
SCHEMBL5831236 0.82 ALDH1A1 (0.43) ALDH1A1GLAADRB2DNM1TDP1

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-7482471-B2 Process for preparation of 1-[9H-carbazol-4-yloxy]-3-[{2-(2-(-methoxy)phenoxy)-ethyl}-amino]-propan-2-ol SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2009-01-27 US disclosed
US-20060270858-A1 A PROCESS FOR PREPARATION OF 1-[9H-CARBAZOL-4-YLOXY]-3-[{2-(2-(METHOXY)PHENOXY)-ETHYL}-AMINO]-PROPAN-2-OL SUN PHARMACEUTICAL INDUSTRIES LTD (IN) 2006-11-30 US disclosed
WO-2004113296-A1 A PROCESS FOR PREPARATION OF 1-[9H-CARBAZOL-4-YLOXY]- 3-[{2-(2-(-(METHOXY)PHENOXY)-ETHYL}-AMINO]-PROPAN-2-OL SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2004-12-29 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-20060270858-A1 A PROCESS FOR PREPARATION OF 1-[9H-CARBAZOL-4-YLOXY]-3-[{2-(2-(METHOXY)PHENOXY)-ETHYL}-AMINO]-PROPAN-2-OL OXER1, CYP3A43, CYP1B1 ALDH1A1 89/4885GLA 3472/4885ADRB2 111/4885

“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.