SCHEMBL20556331

SCHEMBL20556331

CCc1ccc(-c2ccc(C(=O)O)c(C)c2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.68
RAB9A P51151 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
RXRB P28702 3/20 0.55
RXRA P19793 2/20 0.54
ALDH1A1 P00352 1/20 0.53
BCL2 P10415 1/20 0.53
MCL1 Q07820 4/20 0.50
RARA P10276 1/20 0.49
RARG P13631 1/20 0.49
XDH P47989 1/20 0.47
SLC22A12 Q96S37 1/20 0.47
ADRB1 P08588 1/20 0.46
ADRB3 P13945 1/20 0.46
CA12 O43570 1/20 0.45
ALPL P05186 1/20 0.45
CA9 Q16790 1/20 0.45
PDE4A P27815 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4C Q08493 1/20 0.45

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
SCHEMBL2343149 0.85 ALDH1A1 (0.55) RARBRAB9ASMN1; SMN2RXRBRXRA
SCHEMBL1498034 0.85 RXRB (0.70) RARBRXRBRXRAMCL1RARA
SCHEMBL29771992 0.85 RXRB (0.70) RARBRXRBRXRAMCL1RARA
SCHEMBL20556345 0.84 RARB (0.89) RARBALDH1A1MCL1RARARARG
SCHEMBL23512354 0.83 RARB (0.50) RARBRAB9ASMN1; SMN2RXRBRXRA
Hydrochloric Acid SCHEMBL4365452 0.83 RXRB (0.68) RARBRXRBRXRAMCL1RARA
Hydrochloric Acid SCHEMBL9150803 0.83 RXRB (0.68) RARBRXRBRXRAMCL1RARA
SCHEMBL2367978 0.83 RARB (0.86) RARBALDH1A1MCL1RARARARG
SCHEMBL20847685 0.83 RARB (0.68) RARBRAB9ASMN1; SMN2RXRBRXRA
SCHEMBL20556288 0.82 RARB (0.59) RARBRXRBRXRAMCL1ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3377473-B1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2024-06-19 EP disclosed
US-20230133817-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2023-05-04 US disclosed
US-20180327367-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS WUXI APPTEC CO., LTD (CN) 2018-11-15 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 (2 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-20180327367-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, PEPD, CTSC RARB 1554/4885RAB9A 2372/4885SMN1; SMN2 1689/4885
US-20230133817-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, PEPD, CTSC RARB 1554/4885RAB9A 2372/4885SMN1; SMN2 1689/4885

“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.