SCHEMBL3979545

SCHEMBL3979545

[Pd].c1ccc2c(c1)[nH]c1ccc(OCC3CO3)cc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.54
TSHR P16473 4/20 0.54
TP53 P04637 3/20 0.54
HIF1A Q16665 2/20 0.54
CYP3A4 P08684 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
TDP1 Q9NUW8 1/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
MAPT P10636 4/20 0.51
HPGD P15428 3/20 0.51
HSD17B10 Q99714 3/20 0.51
KDM4E B2RXH2 2/20 0.51
FGFR1 P11362 1/20 0.43
SRC P12931 1/20 0.43
CYP1A2 P05177 1/20 0.42
PPARG P37231 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
PKM P14618 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
SCHEMBL4901435 0.90 ALDH1A1 (0.55) ALDH1A1TSHRTP53HIF1ACYP3A4
SCHEMBL7964357 0.90 ALDH1A1 (0.55) ALDH1A1TSHRTP53HIF1ACYP3A4
SCHEMBL7964358 0.90 ALDH1A1 (0.55) ALDH1A1TSHRTP53HIF1ACYP3A4
SCHEMBL28097894 0.82 ALDH1A1 (0.49) ALDH1A1TSHRTP53HIF1ACYP3A4
SCHEMBL7698081 0.77 KDM4E (0.45) ALDH1A1TSHRTP53HIF1ACYP3A4
SCHEMBL7697062 0.77 KDM4E (0.45) ALDH1A1TSHRTP53HIF1ACYP3A4
SCHEMBL7689297 0.77 KDM4E (0.45) ALDH1A1TSHRTP53HIF1ACYP3A4
SCHEMBL27546735 0.77 ALDH1A1 (0.49) ALDH1A1TSHRTP53HIF1ACYP3A4
SCHEMBL28618616 0.76 HTT (0.48) ALDH1A1SMN1; SMN2MEN1KMT2AHSD17B10
SCHEMBL3979543 0.75 ALDH1A1 (0.51) ALDH1A1TSHRTP53HIF1ACYP3A4

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 89/4885TSHR 3240/4885TP53 4867/4885

“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.