SCHEMBL12936622

SCHEMBL12936622

CC(C)OCc1cccc(CO)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.45
ENPP2 Q13822 1/20 0.41
S1PR1 P21453 5/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
TSHR P16473 2/20 0.38
PRKCI P41743 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL646907 0.90 IDO1 (0.42) FFAR4CYP3A4IDO1
SCHEMBL10226540 0.82 TP53 (0.39) TSHRFFAR4SMN1; SMN2ALDH1A1NPC1
SCHEMBL10819591 0.82 ENPP2 (0.50) ENPP2CYP3A4MAPT
SCHEMBL19354499 0.81 SLC2A1 (0.37) FFAR4ALDH1A1CYP3A4CYP2C19IDO1
SCHEMBL17214612 0.81 ENPP2 (0.48) MRGPRX4ENPP2SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL17919216 0.81 ALDH1A1 (0.38) TSHRFFAR4ALDH1A1CYP3A4CYP2C19
SCHEMBL12936619 0.79 LTA4H (0.39) PRSS1PRSS2PRSS3TSHRCYP4F2
SCHEMBL8750484 0.78 IDO1 (0.60) ALDH1A1IDO1MAOB
SCHEMBL2567350 0.78 MRGPRX4 (0.49) MRGPRX4ENPP2S1PR1PRSS1PRSS2
SCHEMBL6667804 0.77 MRGPRX4 (0.51) MRGPRX4ENPP2PRSS1PRSS2PRSS3

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-9512426-B2 Method for rapidly evaluating performance of short interfering RNA with novel chemical modifications SIRNA THERAPEUTICS, INC. (US) 2016-12-06 US disclosed
US-20150132761-A1 METHOD FOR RAPIDLY EVALUATING PERFORMANCE OF SHORT INTERFERING RNA WITH NOVEL CHEMICAL MODIFICATIONS BANK OF AMERICA, N.A. 2015-05-14 US disclosed
US-8877439-B2 Method for rapidly evaluating performance of short interfering RNA with novel chemical modifications SIRNA THERAPEUTICS, INC. (US) 2014-11-04 US disclosed
US-20120252027-A1 Method For Rapidly Evaluating Performance Of Short Interfering RNA With Novel Chemical Modifications BANK OF AMERICA, N.A. 2012-10-04 US 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-20120252027-A1 Method For Rapidly Evaluating Performance Of Short Interfering RNA With Novel Chemical Modifications NSUN2, NSUN3, SNRPE MRGPRX4 4226/4885ENPP2 777/4885S1PR1 248/4885

“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.