SCHEMBL23311701

SCHEMBL23311701

CC(S)(S)C(=O)c1ccc2c(c1)CCCC2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.58
▸ SMYD3 Q9H7B4 1/20 0.46
▸ NPC1 O15118 7/20 0.44
▸ RAB9A P51151 7/20 0.44
▸ MAPT P10636 5/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ NFKB1 P19838 2/20 0.44
▸ NFKB2 Q00653 2/20 0.44
▸ RELA Q04206 2/20 0.44
▸ RXRB P28702 3/20 0.43
▸ RXRA P19793 2/20 0.43
▸ RXRG P48443 2/20 0.43
▸ CTNNB1 P35222 1/20 0.43
▸ WNT3A P56704 1/20 0.43
▸ HPGD P15428 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ POLB P06746 1/20 0.42
▸ HDAC6 Q9UBN7 2/20 0.42
▸ TDP1 Q9NUW8 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
SCHEMBL20652081 0.86 ALDH1A1 (0.61) ALDH1A1SMYD3NPC1RAB9AMAPT
SCHEMBL11261240 0.84 ALDH1A1 (0.59) ALDH1A1SMYD3NPC1RAB9AMAPT
SCHEMBL14817233 0.84 ALDH1A1 (0.63) ALDH1A1SMYD3NPC1RAB9AMAPT
SCHEMBL5716811 0.83 ALDH1A1 (0.58) ALDH1A1SMYD3NPC1RAB9AMAPT
SCHEMBL11258356 0.82 ALDH1A1 (0.61) ALDH1A1SMYD3NPC1RAB9AMAPT
SCHEMBL11249082 0.80 ALDH1A1 (0.54) ALDH1A1SMYD3NPC1RAB9AMAPT
SCHEMBL26242316 0.80 ALDH1A1 (0.54) ALDH1A1SMYD3NPC1RAB9AMAPT
SCHEMBL11244958 0.78 ALDH1A1 (0.51) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL9561102 0.77 ALDH1A1 (0.63) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL1466022 0.76 NPC1 (0.67) ALDH1A1SMYD3NPC1RAB9AMAPT

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-20210121584-A1 TRIFUNCTIONAL CONSTRUCTS WITH TUNABLE PHARMACOKINETICS USEFUL IN IMAGING AND ANTI-TUMOR THERAPIES CORNELL UNIVERSITY (US) 2021-04-29 — — 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-20210121584-A1 TRIFUNCTIONAL CONSTRUCTS WITH TUNABLE PHARMACOKINETICS USEFUL IN IMAGING AND ANTI-TUMOR THERAPIES VHL, GLS, GPER1 ALDH1A1 1271/4885SMYD3 4768/4885NPC1 3314/4885

“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.

Send feedback