SCHEMBL11221440

SCHEMBL11221440

ClCC(CCl)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
IDO1 P14902 1/20 0.44
SLC1A3 P43003 2/20 0.43
SLC1A2 P43004 2/20 0.43
SLC1A1 P43005 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
MEN1 O00255 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
KMT2A Q03164 1/20 0.43
AGXT P21549 1/20 0.43
ALDH1A1 P00352 3/20 0.42
SLC6A2 P23975 3/20 0.41
SLC6A3 Q01959 3/20 0.41
SLC6A4 P31645 2/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
CA1 P00915 4/20 0.38
CA2 P00918 4/20 0.38

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
SCHEMBL14047282 0.88 TSHR (0.41) TSHRIDO1SLC1A3SLC1A2SLC1A1
SCHEMBL28576014 0.88 SLC1A3 (0.42) TSHRIDO1SLC1A3SLC1A2SLC1A1
SCHEMBL871423 0.88 TSHR (0.41) TSHRIDO1SLC1A3SLC1A2SLC1A1
SCHEMBL6379469 0.88 SLC1A3 (0.42) TSHRIDO1SLC1A3SLC1A2SLC1A1
SCHEMBL4007778 0.83 MAOB (0.39) TSHRIDO1SLC1A3SLC1A2SLC1A1
SCHEMBL4007775 0.83 MAOB (0.39) TSHRIDO1SLC1A3SLC1A2SLC1A1
SCHEMBL6884652 0.83 SLC1A3 (0.39) TSHRIDO1SLC1A3SLC1A2SLC1A1
SCHEMBL31697649 0.82 TSHR (0.48) TSHRIDO1SLC1A3SLC1A2SLC1A1
SCHEMBL10338108 0.80 ADRB2 (0.40) TSHRCYP2D6ALDH1A1
SCHEMBL10338112 0.80 ADRB2 (0.40) TSHRCYP2D6ALDH1A1

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
US-20220001012-A1 NOVEL COMPOUNDS AND USES OF SAME FOR NEAR-INFRARED CHERENKOV LUMINESCENCE IMAGING AND/OR FOR DEEP TISSUE TREATMENT BY CHERENKOV DYNAMIC PHOTOTHERAPY UNIVERSITE DE BOURGOGNE (FR) 2022-01-06 US disclosed
US-4360464-A Process for production of 1-aryloxy-aminopropane derivatives TEIKOKU HORMONE MFG. CO. LTD. (JP) 1982-11-23 US disclosed
US-4018824-A ANTIULCER AND ADRENERGIC BLOCKING AGENTS TEIKOKU HORMONE MFG. CO., LTD. (JA) 1977-04-19 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-20220001012-A1 NOVEL COMPOUNDS AND USES OF SAME FOR NEAR-INFRARED CHERENKOV LUMINESCENCE IMAGING AND/OR FOR DEEP TISSUE TREATMENT BY CHERENKOV DYNAMIC PHOTOTHERAPY CYBA, CYBB, NOX4 TSHR 2594/4885IDO1 2189/4885SLC1A3 2961/4885

“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.