SCHEMBL5343036

SCHEMBL5343036

CCC(c1ccc(O)cc1)C(O)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.64
LMNA P02545 2/20 0.64
TDP1 Q9NUW8 2/20 0.64
CYP1A2 P05177 1/20 0.64
PGR P06401 1/20 0.64
CHRM2 P08172 1/20 0.64
CYP3A4 P08684 1/20 0.64
ADORA3 P0DMS8 1/20 0.64
AR P10275 1/20 0.64
CYP2D6 P10635 1/20 0.64
MAPT P10636 1/20 0.64
CHRM1 P11229 1/20 0.64
CYP2C9 P11712 1/20 0.64
ALOX15 P16050 1/20 0.64
DRD1 P21728 1/20 0.64
TBXA2R P21731 1/20 0.64
PTGS1 P23219 1/20 0.64
SLC6A2 P23975 1/20 0.64
CYP2C19 P33261 1/20 0.64
ADRA1A P35348 1/20 0.64

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
SCHEMBL1923823 0.85 LMNA (0.52) ESR1LMNATDP1CYP1A2PGR
Hexestrol SCHEMBL27352072 0.82 ESR1 (0.79) ESR1LMNATDP1CYP1A2PGR
SCHEMBL2241050 0.81 AKR1C3 (0.51) ESR1CYP1A2MAPTPTGS1HIF1A
Hexestrol SCHEMBL154886 0.80 ESR1 (1.00) ESR1LMNATDP1CYP1A2PGR
Hexestrol SCHEMBL154885 0.80 ESR1 (1.00) ESR1LMNATDP1CYP1A2PGR
SCHEMBL5160730 0.78 NPC1 (0.49) TDP1MAPTKDM4E
SCHEMBL5356393 0.77 MAOB (0.56) LMNA
Hexestrol SCHEMBL17628536 0.76 ESR1 (0.83) ESR1LMNATDP1CYP1A2PGR
SCHEMBL8493413 0.76 ESR1 (0.75) ESR1LMNATDP1CYP1A2PGR
SCHEMBL29107428 0.76 ESR1 (0.75) ESR1LMNATDP1CYP1A2PGR

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
US-7223881-B2 Process for the preparation of new antidiabetic agents DR. REDDY'S LABORATORIES LIMITED (IN) 2007-05-29 US disclosed
US-20030125553-A1 Process for the preparation of new antidiabetic agents DR. REDDY'S LABORATORIES LIMITED 2003-07-03 US disclosed
US-6531596-B1 S(-)-2-methoxy-3-(4-(2-(phenoxazin-10-yl)methoxy) phenyl)propionic acid; benzylating p-hydroxybenzaldehyde or tyrosine; reaction with phenoxazinyl mesylate DR. REDDY'S LABORATORIES LTD. (IN) 2003-03-11 US disclosed
EP-1124808-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF NEW ANTIDIABETIC AGENTS DR. REDDY'S RESEARCH FOUNDATION (IN) 2001-08-22 EP disclosed
WO-2000026200-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF NEW ANTIDIABETIC AGENTS DR. REDDY'S RESEARCH FOUNDATION (IN) 2000-05-11 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-20030125553-A1 Process for the preparation of new antidiabetic agents GLP1R, GPR119, SLC5A1 ESR1 3891/4885LMNA 3863/4885TDP1 3106/4885

“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.