SCHEMBL9101901

SCHEMBL9101901

CC1(C)C(=CC=C2CCC(C=CC3=[N+](CCCCS(=O)(=O)O)c4ccccc4C3(C)C)=C2Cl)N(CCCCS(=O)(=O)O)c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.53
FOLR1 P15328 6/20 0.50
HTR1A P08908 1/20 0.50
PRMT1 Q99873 4/20 0.49
CHRM1 P11229 3/20 0.47
CHRM3 P20309 3/20 0.47
HRH2 P25021 2/20 0.47
MLNR O43193 1/20 0.47
NR1I2 O75469 1/20 0.47
PGR P06401 1/20 0.47
ADRB1 P08588 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
DRD2 P14416 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
CNR1 P21554 1/20 0.47
DRD1 P21728 1/20 0.47
TBXA2R P21731 1/20 0.47
SLC6A2 P23975 1/20 0.47
HTR2C P28335 1/20 0.47

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
SCHEMBL15026326 1.00 PTPN1 (0.53) PTPN1FOLR1HTR1APRMT1CHRM1
SCHEMBL9101895 1.00 PTPN1 (0.53) PTPN1FOLR1HTR1APRMT1CHRM1
SCHEMBL14364022 1.00 PTPN1 (0.53) PTPN1FOLR1HTR1APRMT1CHRM1
SCHEMBL12891552 1.00 PTPN1 (0.53) PTPN1FOLR1HTR1APRMT1CHRM1
Water SCHEMBL30750794 0.99 PTPN1 (0.52) PTPN1FOLR1HTR1APRMT1CHRM1
Water SCHEMBL5492464 0.99 PTPN1 (0.52) PTPN1FOLR1HTR1APRMT1CHRM1
Water SCHEMBL5492460 0.99 PTPN1 (0.52) PTPN1FOLR1HTR1APRMT1CHRM1
SCHEMBL15026323 0.97 PTPN1 (0.51) PTPN1FOLR1HTR1APRMT1CHRM1
SCHEMBL14666851 0.97 PTPN1 (0.51) PTPN1FOLR1HTR1APRMT1CHRM1
SCHEMBL12364521 0.97 PTPN1 (0.51) PTPN1FOLR1HTR1APRMT1CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12631628-B2 Positionally precise functionalization of shallow luminescent centers through forster resonant energy transfer (FRET) driven surface photochemistry THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2026-05-19 US disclosed
US-20230358734-A1 POSITIONALLY PRECISE FUNCTIONALIZATION OF SHALLOW LUMINESCENT CENTERS THROUGH FORSTER RESONANT ENERGY TRANSFER (FRET) DRIVEN SURFACE PHOTOCHEMISTRY THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2023-11-09 US disclosed
US-20200237670-A1 DYE-STABILIZED NANOPARTICLES AND METHODS OF THEIR MANUFACTURE AND THERAPEUTIC USE MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2020-07-30 US disclosed
US-20180021259-A1 DYE-STABILIZED NANOPARTICLES AND METHODS OF THEIR MANUFACTURE AND THERAPEUTIC USE MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2018-01-25 US disclosed
WO-2016130546-A1 DYE-STABILIZED NANOPARTICLES AND METHODS OF THEIR MANUFACTURE AND THERAPEUTIC USE MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2016-08-18 WO disclosed
US-8920673-B2 Phosphonium-based ionic liquids and uses LOS ALAMOS NATIONAL SECURITY, LLC (US) 2014-12-30 US disclosed
US-20120138789-A1 Phosphonium-Based Ionic Liquids and Uses LOS ALAMOS NATIONAL SECURITY, LLC (US) 2012-06-07 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 (4 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-12631628-B2 Positionally precise functionalization of shallow luminescent centers through forster resonant energy transfer (FRET) driven surface photochemistry VCL, NUP210, NCS1 PTPN1 2799/4885FOLR1 3090/4885HTR1A 4458/4885
US-20200237670-A1 DYE-STABILIZED NANOPARTICLES AND METHODS OF THEIR MANUFACTURE AND THERAPEUTIC USE TP53, SCNN1B, HCCS PTPN1 158/4885FOLR1 1224/4885HTR1A 4082/4885
US-20180021259-A1 DYE-STABILIZED NANOPARTICLES AND METHODS OF THEIR MANUFACTURE AND THERAPEUTIC USE TP53, HCCS, SCNN1B PTPN1 137/4885FOLR1 1189/4885HTR1A 4397/4885
US-20120138789-A1 Phosphonium-Based Ionic Liquids and Uses SRMS, PHOSPHO1, TRMT1L PTPN1 3380/4885FOLR1 4234/4885HTR1A 4680/4885

“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.