SCHEMBL1823909

SCHEMBL1823909

CC1(C(=O)O)COC2(CCCCCCC2)OC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.46
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPK1 P28482 1/20 0.34
CYP2C19 P33261 1/20 0.33
CYP3A4 P08684 2/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
CETP P11597 1/20 0.30
CYP1A2 P05177 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL1826703 1.00 FFAR3 (0.46) FFAR3POLBTDP1ALDH1A1SMN1; SMN2
SCHEMBL1826359 1.00 FFAR3 (0.46) FFAR3POLBTDP1ALDH1A1SMN1; SMN2
SCHEMBL42141 0.82 FFAR3 (0.52) FFAR3SMN1; SMN2MAPK1CYP2C19CYP3A4
Hydrochloric Acid SCHEMBL15522635 0.80 FFAR3 (0.50) FFAR3SMN1; SMN2MAPK1CYP2C19NPSR1
SCHEMBL9709063 0.78 POLB (0.36) POLBTDP1CYP2C19
SCHEMBL818086 0.78 POLB (0.36) POLBTDP1CYP2C19
SCHEMBL5590817 0.75 POLB (0.32) POLBTDP1CYP3A4MEN1KMT2A
SCHEMBL25213839 0.74 FFAR3 (0.72) FFAR3POLBALDH1A1SMN1; SMN2CYP2C19
SCHEMBL18449 0.74 FFAR3 (0.72) FFAR3POLBALDH1A1SMN1; SMN2CYP2C19
SCHEMBL13341342 0.74 FFAR3 (0.72) FFAR3POLBALDH1A1SMN1; SMN2CYP2C19

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 4 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-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

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 FFAR3 2855/4885POLB 4088/4885TDP1 4037/4885

“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.