SCHEMBL1818484

SCHEMBL1818484

CC1(C(=O)O)COC2(OC1)c1ccccc1-c1ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
ALDH1A1 P00352 4/20 0.43
MAPT P10636 2/20 0.43
ITGA4 P13612 1/20 0.43
MAPK1 P28482 1/20 0.39
APEX1 P27695 1/20 0.38
PDK2 Q15119 3/20 0.37
POLB P06746 3/20 0.36
KMT2A Q03164 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
NOTUM Q6P988 1/20 0.35
LMNA P02545 1/20 0.34
APAF1 O14727 1/20 0.34
TDP2 O95551 1/20 0.34
NSD2 O96028 1/20 0.34
ALOX12 P18054 1/20 0.34
RECQL P46063 1/20 0.34
BLM P54132 1/20 0.34
MEN1 O00255 1/20 0.33

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
SCHEMBL1818873 0.81 MAPK1 (0.41) ALDH1A1MAPK1KMT2ALMNAMEN1
SCHEMBL6982212 0.73 THRB (0.46) THRBTDP1ALDH1A1MAPTITGA4
SCHEMBL15799984 0.70 CHRNB2 (0.39) ALDH1A1KMT2ALMNAMEN1ADRB2
SCHEMBL393095 0.70 THRB (0.59) THRBTDP1ALDH1A1MAPTITGA4
SCHEMBL1817884 0.70 MAPK1 (0.56) ALDH1A1MAPTMAPK1KMT2ALMNA
SCHEMBL29869432 0.69 USP8 (0.49) THRBTDP1ALDH1A1MAPTITGA4
SCHEMBL16532992 0.69 USP8 (0.49) THRBTDP1ALDH1A1MAPTITGA4
SCHEMBL42141 0.69 FFAR3 (0.52) MAPK1LMNABLMNPSR1FFAR3
Methyl Alcohol SCHEMBL21134117 0.69 THRB (0.91) THRBTDP1ALDH1A1MAPTITGA4
Bromide SCHEMBL27743787 0.69 THRB (0.57) THRBTDP1ALDH1A1MAPTITGA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8754207-B2 Process for the preparation of rapamycin derivatives CADILA HEALTHCARE LIMITED (IN) 2014-06-17 US disclosed
US-8754207-B2 Process for the preparation of rapamycin derivatives CADILA HEALTHCARE LIMITED (IN) 2014-06-17 US disclosed
US-8754207-B2 Process for the preparation of rapamycin derivatives CADILA HEALTHCARE LIMITED (IN) 2014-06-17 US disclosed
US-20120202988-A1 PROCESS FOR THE PREPARATION OF RAPAMYCIN DERIVATIVES CADILA HEALTHCARE LIMITED (IN) 2012-08-09 US disclosed
US-20120202988-A1 PROCESS FOR THE PREPARATION OF RAPAMYCIN DERIVATIVES CADILA HEALTHCARE LIMITED (IN) 2012-08-09 US disclosed
US-20120202988-A1 PROCESS FOR THE PREPARATION OF RAPAMYCIN DERIVATIVES CADILA HEALTHCARE LIMITED (IN) 2012-08-09 US disclosed
EP-2480557-A2 PROCESS FOR THE PREPARATION OF RAPAMYCIN DERIVATIVES Cadila Healthcare Limited (IN) 2012-08-01 EP disclosed
WO-2011051960-A2 PROCESS FOR THE PREPARATION OF RAPAMYCIN DERIVATIVES CADILA HEALTHCARE LIMITED (IN) 2011-05-05 WO disclosed
WO-2011051960-A2 PROCESS FOR THE PREPARATION OF RAPAMYCIN DERIVATIVES CADILA HEALTHCARE LIMITED (IN) 2011-05-05 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-20120202988-A1 PROCESS FOR THE PREPARATION OF RAPAMYCIN DERIVATIVES RICTOR, MTOR, RPTOR THRB 4861/4885TDP1 4037/4885ALDH1A1 3694/4885

“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.