SCHEMBL16016898

SCHEMBL16016898

CC(CCC(=O)O)(CCC(=O)O)Sc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
ESR1 P03372 1/20 0.44
CYP3A4 P08684 1/20 0.44
ESR2 Q92731 1/20 0.44
FFAR1 O14842 3/20 0.44
CHEK1 O14757 1/20 0.41
FYN P06241 1/20 0.41
PDGFRB P09619 1/20 0.41
PIM1 P11309 1/20 0.41
FGFR1 P11362 1/20 0.41
FLT1 P17948 1/20 0.41
GRK5 P34947 1/20 0.41
MAP2K2 P36507 1/20 0.41
MAPK8 P45983 1/20 0.41
CDK8 P49336 1/20 0.41
RPS6KA3 P51812 1/20 0.41
PRKX P51817 1/20 0.41
JAK3 P52333 1/20 0.41
LIMK1 P53667 1/20 0.41
BTK Q06187 1/20 0.41

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
SCHEMBL16016880 0.90 ALDH1A1 (0.44) ALDH1A1ESR1FFAR1HDAC11TSHR
SCHEMBL16016745 0.89 TSHR (0.41) ALDH1A1ESR1CYP3A4ESR2SMN1; SMN2
SCHEMBL16016750 0.83 ALDH1A1 (0.38) ALDH1A1
SCHEMBL14731579 0.82 ALDH1A1 (0.48) ALDH1A1ESR1CYP3A4ESR2FFAR1
SCHEMBL16016746 0.82 HPGD (0.49) ALDH1A1TSHRCYP2C9HSD17B10MAPT
SCHEMBL16016757 0.81 TSHR (0.47) ALDH1A1TSHRHSD17B10MAPTHPGD
SCHEMBL29278270 0.80 ALDH1A1 (0.40) ALDH1A1ESR1CYP3A4ESR2FFAR1
SCHEMBL16019251 0.79 ALDH1A1 (0.42) ALDH1A1ESR1CYP3A4ESR2FFAR1
SCHEMBL16016772 0.76 SMN1; SMN2 (0.44) ALDH1A1SMN1; SMN2MAPTGAA
SCHEMBL14731578 0.75 TSHR (0.41) ALDH1A1FFAR1SMN1; SMN2TSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9920084-B2 Ionic tags for synthesis of oligoribonucleotides THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2018-03-20 US disclosed
US-20140256926-A1 Ionic Tags for Synthesis of Oligoribonucleotides HONG KONG POLYTECHNIC UNIVERSITY (HK) 2014-09-11 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-20140256926-A1 Ionic Tags for Synthesis of Oligoribonucleotides RNGTT, OSTC, OSGEP ALDH1A1 3379/4885ESR1 4213/4885CYP3A4 4723/4885

“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.