SCHEMBL14477017

SCHEMBL14477017

Nc1ccc2c(c1)Oc1c(ccc3cccc(O)c13)C21OC(=O)c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
FTO Q9C0B1 3/20 0.53
TDP1 Q9NUW8 3/20 0.53
HTT P42858 2/20 0.53
RECQL P46063 2/20 0.53
BLM P54132 2/20 0.53
PRMT1 Q99873 2/20 0.53
ACE2 Q9BYF1 2/20 0.53
HPGD P15428 1/20 0.53
CYP2C19 P33261 1/20 0.53
SMAD3 P84022 1/20 0.53
GNG2 P59768 1/20 0.50
GNB1 P62873 1/20 0.50
LMNA P02545 3/20 0.44
USP2 O75604 2/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 3/20 0.43
DHFR P00374 6/20 0.43

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
SCHEMBL14477013 0.89 MEN1 (0.49) MAPTMEN1KMT2AFTOTDP1
SCHEMBL14477011 0.89 FTO (0.68) MAPTMEN1KMT2AFTOTDP1
SCHEMBL14477021 0.88 GNG2 (0.51) MAPTMEN1KMT2AFTOTDP1
SCHEMBL14477019 0.87 GNG2 (0.65) MAPTMEN1KMT2AFTOTDP1
SCHEMBL12464183 0.86 MAPT (0.51) MAPTMEN1KMT2AFTOTDP1
SCHEMBL19657379 0.85 CYP3A4 (0.45) MAPTMEN1KMT2AFTOTDP1
SCHEMBL14477005 0.83 FTO (0.65) MAPTMEN1KMT2AFTOTDP1
SCHEMBL29583321 0.81 FTO (0.62) MAPTMEN1KMT2AFTOTDP1
SCHEMBL21708060 0.81 FTO (0.62) MAPTMEN1KMT2AFTOTDP1
SCHEMBL8918610 0.80 FTO (0.69) MAPTMEN1KMT2AFTOTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11191850-B2 Molecular probes for detection and imaging of pancreatic cancer PORTLAND STATE UNIVERSITY (US) 2021-12-07 US disclosed
EP-3464293-B1 MOLECULAR PROBES FOR DETECTION AND IMAGING OF PANCREATIC CANCER UNIV PORTLAND STATE (US) 2021-06-23 EP disclosed
US-20200330612-A1 MOLECULAR PROBES FOR DETECTION AND IMAGING OF PANCREATIC CANCER PORTLAND STATE UNIVERSITY (US) 2020-10-22 US disclosed
US-9958451-B2 Near-infrared fluorescent dyes with large stokes shifts PORTLAND STATE UNIVERSITY (US) 2018-05-01 US disclosed
US-9958451-B2 Near-infrared fluorescent dyes with large stokes shifts PORTLAND STATE UNIVERSITY (US) 2018-05-01 US disclosed
WO-2017205350-A1 MOLECULAR PROBES FOR DETECTION AND IMAGING OF PANCREATIC CANCER PORTLAND STATE UNIVERSITY (US) 2017-11-30 WO disclosed
US-20160154001-A1 NEAR-INFRARED FLUORESCENT DYES WITH LARGE STOKES SHIFTS PORTLAND STATE UNIVERSITY (US) 2016-06-02 US disclosed
US-20160154001-A1 NEAR-INFRARED FLUORESCENT DYES WITH LARGE STOKES SHIFTS PORTLAND STATE UNIVERSITY (US) 2016-06-02 US disclosed
US-9250246-B2 Near-infrared fluorescent dyes with large stokes shifts PORTLAND STATE UNIVERSITY (US) 2016-02-02 US disclosed
US-9250246-B2 Near-infrared fluorescent dyes with large stokes shifts PORTLAND STATE UNIVERSITY (US) 2016-02-02 US disclosed
US-20140120628-A1 NEAR-INFRARED FLUORESCENT DYES WITH LARGE STOKES SHIFTS THE OREGON STATE BOARD OF HIGHER EDUCATION ON BEHALF OF PORTLAND STATE UNIVERSITY (US) 2014-05-01 US disclosed
US-20140120628-A1 NEAR-INFRARED FLUORESCENT DYES WITH LARGE STOKES SHIFTS THE OREGON STATE BOARD OF HIGHER EDUCATION ON BEHALF OF PORTLAND STATE UNIVERSITY (US) 2014-05-01 US disclosed
WO-2013003815-A2 NEAR-INFRARED FLUORESCENT DYES WITH LARGE STOKES SHIFTS THE OREGON STATE BOARD OF HIGHER EDUCATION ON BEHALF OF PORTLAND STATE UNIVERSITY (US) 2013-01-03 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-20200330612-A1 MOLECULAR PROBES FOR DETECTION AND IMAGING OF PANCREATIC CANCER RNASE1, AMY2A, ANXA4 MAPT 4540/4885MEN1 1072/4885KMT2A 2406/4885
US-11191850-B2 Molecular probes for detection and imaging of pancreatic cancer RNASE1, AMY2A, ANXA4 MAPT 4540/4885MEN1 1072/4885KMT2A 2406/4885

“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.