SCHEMBL8958768

SCHEMBL8958768

CC(=O)c1ccc2c(c1)C(C)(C)/C(=C\C=C1/CCCC(/C=C/C3=[N+](CCCCSOOO)c4ccc(C(=O)O)cc4C3(C)C)=C1Cl)N2CCCCSOOO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 6/20 0.41
PTPN1 P18031 1/20 0.41
FOLH1 Q04609 4/20 0.41
HTR1A P08908 1/20 0.41
FOLR1 P15328 6/20 0.39
PRMT5 O14744 1/20 0.39
CARM1 Q86X55 1/20 0.39
PRMT8 Q9NR22 1/20 0.39
APP P05067 1/20 0.33
MLNR O43193 1/20 0.30
NR1I2 O75469 1/20 0.30
PGR P06401 1/20 0.30
ADRB1 P08588 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
CHRM1 P11229 1/20 0.30
DRD2 P14416 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30
CHRM3 P20309 1/20 0.30
CNR1 P21554 1/20 0.30

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
SCHEMBL8959011 0.94 HTR1A (0.42) PRMT1PTPN1FOLH1HTR1AFOLR1
SCHEMBL29461602 0.84 FOLH1 (0.51) PRMT1PTPN1FOLH1HTR1AFOLR1
SCHEMBL17974075 0.83 PRMT1 (0.44) PRMT1PTPN1FOLH1HTR1AFOLR1
SCHEMBL14300898 0.82 FOLH1 (0.44) PRMT1PTPN1FOLH1HTR1AFOLR1
SCHEMBL17974087 0.82 PRMT1 (0.43) PRMT1PTPN1FOLH1HTR1AFOLR1
SCHEMBL10303049 0.82 HTR1A (0.50) PRMT1PTPN1FOLH1HTR1AFOLR1
SCHEMBL12971922 0.82 PTPN1 (0.47) PRMT1PTPN1FOLH1HTR1AFOLR1
SCHEMBL13899185 0.79 PRMT1 (0.42) PRMT1FOLH1HTR1AFOLR1PRMT5
SCHEMBL12713670 0.79 FOLH1 (0.48) PRMT1PTPN1FOLH1HTR1AFOLR1
SCHEMBL12971809 0.79 PTPN1 (0.48) PRMT1PTPN1FOLH1HTR1AFOLR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367714-B2 Cannabinoid receptor targeted agent VANDERBILT UNIVERSITY (US) 2013-02-05 US disclosed
US-8188116-B2 Ligand/drug conjugates; near infrared radiation imaging; peripheral benzodiazepine receptor imaging; drug delivery; drug targets; cancer, metastasis VANDERBILT UNIVERSITY (US) 2012-05-29 US disclosed
US-20090105128-A1 CANNABINOID RECEPTOR TARGETED AGENT VANDERABILT UNIVERSITY 2009-04-23 US disclosed
US-20080031823-A1 AGENTS FOR THERAPY EFFICACY MONITORING AND DEEP TISSUE IMAGING US GOVERNMENT - SECRETARY FOR THE ARMY 2008-02-07 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-20080031823-A1 AGENTS FOR THERAPY EFFICACY MONITORING AND DEEP TISSUE IMAGING TSPO, MKI67, CNR1 PRMT1 3483/4885PTPN1 4752/4885FOLH1 1189/4885
US-20090105128-A1 CANNABINOID RECEPTOR TARGETED AGENT CNR1, CNR2, NPY1R PRMT1 3097/4885PTPN1 2040/4885FOLH1 2079/4885

“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.