SCHEMBL13660529

SCHEMBL13660529

O=C(O)c1ccc(COCc2ccc(CI)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.59
RXRA P19793 7/20 0.53
RXRB P28702 6/20 0.53
NR4A2 P43354 4/20 0.49
NPC1 O15118 1/20 0.49
POLB P06746 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NR4A1 P22736 1/20 0.49
NR4A3 Q92570 1/20 0.49
RXRG P48443 1/20 0.46
HPGD P15428 1/20 0.46
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL9439348 0.90 ALDH1A1 (0.69) ALDH1A1RXRARXRBNR4A2NPC1
SCHEMBL1795374 0.88 ALDH1A1 (0.60) ALDH1A1RXRARXRBPOLBSMN1; SMN2
Bromide SCHEMBL1596492 0.86 ALDH1A1 (0.58) ALDH1A1RXRARXRBPOLBSMN1; SMN2
Hydrochloric Acid SCHEMBL1596308 0.86 ALDH1A1 (0.58) ALDH1A1RXRARXRBPOLBSMN1; SMN2
SCHEMBL27832128 0.84 NR4A1 (0.67) ALDH1A1RXRARXRBNR4A2SMN1; SMN2
SCHEMBL21533380 0.82 ALDH1A1 (0.61) ALDH1A1RXRARXRBNR4A2NPC1
SCHEMBL27686225 0.82 ALDH1A1 (0.54) ALDH1A1RXRARXRBPOLBSMN1; SMN2
Terephthalic Acid SCHEMBL11039705 0.82 NR4A2 (0.69) ALDH1A1RXRARXRBNR4A2NR4A1
SCHEMBL25960462 0.80 ALDH1A1 (0.54) ALDH1A1RXRARXRBNR4A2NPC1
SCHEMBL24474396 0.80 ALDH1A1 (0.62) ALDH1A1RXRARXRBNR4A2NPC1

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-9574189-B2 Enzymatic encoding methods for efficient synthesis of large libraries NUEVOLUTION A/S (DK) 2017-02-21 US disclosed
US-9574189-B2 Enzymatic encoding methods for efficient synthesis of large libraries NUEVOLUTION A/S (DK) 2017-02-21 US disclosed
US-20090264300-A1 ENZYMATIC ENCODING METHODS FOR EFFICIENT SYNTHESIS OF LARGE LIBRARIES NUEVOLUTION A/S (DK) 2009-10-22 US disclosed
US-20090264300-A1 ENZYMATIC ENCODING METHODS FOR EFFICIENT SYNTHESIS OF LARGE LIBRARIES NUEVOLUTION A/S (DK) 2009-10-22 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-20090264300-A1 ENZYMATIC ENCODING METHODS FOR EFFICIENT SYNTHESIS OF LARGE LIBRARIES RNGTT, DUT, EMG1 ALDH1A1 1712/4885RXRA 4328/4885RXRB 4406/4885

“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.