SCHEMBL29601714

SCHEMBL29601714

Brc1ccc(SCCCSc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.58
MAPK1 P28482 2/20 0.58
SMN1; SMN2 Q16637 3/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
NFKB1 P19838 1/20 0.51
CASP3 P42574 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47

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
SCHEMBL10595686 0.86 SMN1; SMN2 (0.48) ALDH1A1MAPK1SMN1; SMN2NPC1RAB9A
SCHEMBL1931125 0.86 ALDH1A1 (0.78) ALDH1A1MAPK1SMN1; SMN2NPC1RAB9A
SCHEMBL3868680 0.84 MAOA (0.50) ALDH1A1MAPK1SMN1; SMN2NPC1RAB9A
SCHEMBL420011 0.81 ALDH1A1 (0.78) ALDH1A1MAPK1SMN1; SMN2NPC1RAB9A
SCHEMBL10597373 0.81 ALDH1A1 (0.52) ALDH1A1MAPK1SMN1; SMN2NPC1RAB9A
SCHEMBL1582481 0.79 TSHR (0.44) ALDH1A1MAPK1SMN1; SMN2NPC1RAB9A
SCHEMBL5169003 0.79 ALDH1A1 (0.74) ALDH1A1MAPK1SMN1; SMN2NPC1RAB9A
SCHEMBL5167895 0.79 ALDH1A1 (0.74) ALDH1A1MAPK1SMN1; SMN2NPC1RAB9A
SCHEMBL3369604 0.78 MAOA (0.53) SMN1; SMN2L3MBTL1HSP90AA1CYP1A2CYP2D6
SCHEMBL5433312 0.78 SMN1; SMN2 (0.42) ALDH1A1MAPK1SMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220153693-A1 SUBSTITUTED MONO- AND POLY-PHENYL-CORE MONOMERS AND POLYMERS THEREOF FOR VOLUME BRAGG GRATINGS META PLATFORMS TECHNOLOGIES, LLC 2022-05-19 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-20220153693-A1 SUBSTITUTED MONO- AND POLY-PHENYL-CORE MONOMERS AND POLYMERS THEREOF FOR VOLUME BRAGG GRATINGS PARG, PARN, PCBP1 ALDH1A1 3572/4885MAPK1 2213/4885SMN1; SMN2 3172/4885

“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.