SCHEMBL21160607

SCHEMBL21160607

CC(C)(C)Cc1ccc2c(c1)sc1cc(C(C)(C)C)sc12

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.33
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
GLA P06280 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
ALOX12 P18054 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL21234919 0.88 ESR1 (0.33) ESR1NPC1ALDH1A1LMNAGLA
SCHEMBL25762805 0.76 ESR1 (0.38) ESR1NPC1ALDH1A1LMNAGLA
SCHEMBL19274923 0.76 ESR1 (0.38) ESR1ALDH1A1MAPTHPGDRAB9A
SCHEMBL18573477 0.74 ALDH1A1 (0.53) ESR1NPC1ALDH1A1LMNAGLA
SCHEMBL21234918 0.72 ESR1 (0.38) ESR1
SCHEMBL10053988 0.72 PDPK1 (0.40) ALDH1A1MAPTALOX15
SCHEMBL21937576 0.71 ESR1 (0.37) ESR1
SCHEMBL26181644 0.71 ESR1 (0.43) ESR1ALDH1A1MAPTHPGDALOX15
SCHEMBL22674885 0.71 ESR1 (0.34) ESR1NPC1ALDH1A1LMNAGLA
SCHEMBL24133444 0.70 ESR1 (0.33) ESR1

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-11209437-B2 Fluorescent probe and preparation method and use thereof FLUORESCENCE DIAGNOSIS (SHANGHAI) BIOTECH COMPANY (CN) 2021-12-28 US disclosed
US-20190187144-A1 FLUORESCENT PROBE AND PREPARATION METHOD AND USE THEREOF EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2019-06-20 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-20190187144-A1 FLUORESCENT PROBE AND PREPARATION METHOD AND USE THEREOF HNRNPF, HNRNPUL2, RAB5IF ESR1 4591/4885NPC1 1998/4885ALDH1A1 3152/4885
US-11209437-B2 Fluorescent probe and preparation method and use thereof HNRNPF, HNRNPUL2, RAB5IF ESR1 4591/4885NPC1 1998/4885ALDH1A1 3152/4885

“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.