SCHEMBL42765

SCHEMBL42765

[CH]=CCC1=CCCCCC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 2/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
ALOX15 P16050 2/20 0.38
ALDH1A1 P00352 4/20 0.37
TAAR1 Q96RJ0 1/20 0.36
RAB9A P51151 3/20 0.34
NPC1 O15118 2/20 0.34
USP2 O75604 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
EPHX1 P07099 1/20 0.34
PKM P14618 1/20 0.33
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL6587742 0.98
SCHEMBL6589763 0.91
SCHEMBL9505606 0.78 ALDH1A1 (0.40) CXCR3SMN1; SMN2ALOX15ALDH1A1TAAR1
SCHEMBL20529724 0.78 ALDH1A1 (0.41) CXCR3SMN1; SMN2ALOX15ALDH1A1TAAR1
SCHEMBL7994890 0.78 CXCR3 (0.42) CXCR3SMN1; SMN2ALOX15ALDH1A1TAAR1
SCHEMBL7914874 0.78 ALDH1A1 (0.40) CXCR3SMN1; SMN2ALOX15ALDH1A1TAAR1
SCHEMBL20529718 0.78 ALDH1A1 (0.41) CXCR3SMN1; SMN2ALOX15ALDH1A1TAAR1
SCHEMBL9505609 0.78 ALDH1A1 (0.40) CXCR3SMN1; SMN2ALOX15ALDH1A1TAAR1
SCHEMBL7994494 0.78 CXCR3 (0.42) CXCR3SMN1; SMN2ALOX15ALDH1A1TAAR1
SCHEMBL3764950 0.78 ALDH1A1 (0.40) CXCR3SMN1; SMN2ALOX15ALDH1A1TAAR1

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 369 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240115553-A1 COMPOSITIONS AND METHODS FOR TREATING BRAIN INJURY AZEVAN PHARMACEUTICALS, INC. (US) 2024-04-11 US disclosed
US-20240117117-A1 CARBOHYDRATE POLYAMINE BINDERS AND MATERIALS MADE THEREWITH KNAUF INSULATION SPRL (BE) 2024-04-11 US disclosed
WO-2024064209-A1 COMPOSITIONS AND METHODS FOR TREATING MYCOBACTERIUM INFECTIONS DATA2DISCOVERY, INC. (US) 2024-03-28 WO disclosed
WO-2024039864-A1 PROTEIN:PROTEIN INTERACTION INHIBITORS PURDUE RESEARCH FOUNDATION (US) 2024-02-22 WO disclosed
EP-4324882-A2 BINDERS Knauf Insulation SPRL (BE) 2024-02-21 EP disclosed
US-20240034918-A1 BINDERS AND ASSOCIATED PRODUCTS KNAUF INSULATION SPRL (BE) 2024-02-01 US disclosed
EP-3146010-B1 BINDERS KNAUF INSULATION INC (US) 2023-12-13 EP disclosed
US-11814481-B2 Carbohydrate polyamine binders and materials made therewith KNAUF INSULATION, INC. (US) 2023-11-14 US disclosed
WO-2023215238-A1 PREPARATION AND USES OF 7-AZAINDENOISOQUINOLINES PURDUE RESEARCH FOUNDATION (US) 2023-11-09 WO disclosed
EP-4245762-A2 BINDERS AND ASSOCIATED PRODUCTS Knauf Insulation SPRL (BE) 2023-09-20 EP disclosed
WO-2012019123-A1 PROCESSES FOR PREPARING TUBULYSINS ENDOCYTE, INC. (US) 2012-02-09 WO disclosed
WO-2012003436-A1 METHODS FOR TREATING POST TRAUMATIC STRESS DISORDER AZEVAN PHARMACEUTICALS, INC. (US) 2012-01-05 WO disclosed
WO-2011138459-A1 CARBOHYDRATE BINDERS AND MATERIALS MADE THEREWITH KNAUF INSULATION (BE) 2011-11-10 WO disclosed
WO-2011138458-A1 CARBOHYDRATE POLYAMINE BINDERS AND MATERIALS MADE THEREWITH KNAUF INSULATION (BE) 2011-11-10 WO disclosed
WO-2011112864-A1 PARENTERAL FORMULATIONS OF MACROLIDE ANTIBIOTICS CEMPRA PHARMACEUTICALS, INC. (US) 2011-09-15 WO disclosed
WO-2011109232-A1 COMPOSITIONS AND METHODS FOR TREATING VIRAL DISEASES NOVADRUG, LLC (US) 2011-09-09 WO disclosed
WO-2011094416-A1 SUBSTITUTED NORINDENOISOQUINOLINES, SYNTHESES THEREOF, AND METHODS OF USE PURDUE RESEARCH FOUNDATION (US) 2011-08-04 WO disclosed
WO-2011085185-A1 SOLUBLE GRAPHENE NANOSTRUCTURES AND ASSEMBLIES THEREFROM LI LIANG-SHI (US) 2011-07-14 WO disclosed
WO-2011032052-A1 METHODS FOR TREATING MALARIA, TUBERCULOSIS AND MAC DISEASES CEMPRA PHARMACEUTICALS, INC. (US) 2011-03-17 WO disclosed
WO-2010132494-A1 COMPOUNDS AND METHODS FOR TREATING AIDS AND HIV INFECTIONS GHOSH ARUN K (US) 2010-11-18 WO 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-20240115553-A1 COMPOSITIONS AND METHODS FOR TREATING BRAIN INJURY FABP7, PYGB, CHAT CXCR3 1184/4885SMN1; SMN2 114/4885ALOX15 855/4885
US-20240034918-A1 BINDERS AND ASSOCIATED PRODUCTS VCL, C1QBP, TBCB CXCR3 3255/4885SMN1; SMN2 2143/4885ALOX15 2776/4885

“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.