SCHEMBL1700604

SCHEMBL1700604

CNCc1ccc2c(c1)Cc1ccccc1-2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.55
ALDH1A1 P00352 2/20 0.55
ATM Q13315 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
TP53 P04637 1/20 0.50
MAPK1 P28482 1/20 0.50
MAPT P10636 3/20 0.49
HPGD P15428 2/20 0.49
KDM4E B2RXH2 2/20 0.49
LMNA P02545 1/20 0.49
CYP17A1 P05093 1/20 0.48
HTR7 P34969 4/20 0.47
CYP1A2 P05177 3/20 0.46
HTR2C P28335 2/20 0.46
HTR2B P41595 2/20 0.46
ADRA2A P08913 1/20 0.46
MAOA P21397 1/20 0.46

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
SCHEMBL598903 0.83 TSHR (0.58) TSHRALDH1A1ATMNPSR1NPC1
SCHEMBL10442087 0.83 TSHR (0.52) TSHRALDH1A1ATMNPSR1NPC1
SCHEMBL13973037 0.83 TSHR (0.52) TSHRALDH1A1ATMNPSR1NPC1
SCHEMBL7342269 0.83 ALDH1A1 (0.51) TSHRALDH1A1ATMNPSR1NPC1
SCHEMBL7351405 0.82 ALDH1A1 (0.51) TSHRALDH1A1ATMNPSR1NPC1
SCHEMBL13958917 0.82 TSHR (0.51) TSHRALDH1A1ATMNPSR1NPC1
SCHEMBL9080133 0.81 ALDH1A1 (0.50) TSHRALDH1A1ATMNPSR1NPC1
SCHEMBL5357579 0.80 ALDH1A1 (0.59) TSHRALDH1A1ATMNPSR1NPC1
SCHEMBL7195015 0.80 GPR84 (0.60) TSHRALDH1A1ATMNPSR1NPC1
SCHEMBL3974006 0.79 TSHR (0.54) TSHRALDH1A1ATMNPSR1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2566334-B1 CONTROLLED DRUG RELEASE FROM SOLID SUPPORTS PROLYNX LLC (US) 2018-04-18 EP disclosed
EP-2566335-B1 CONTROLLED RELEASE OF ACTIVE COMPOUNDS FROM MACROMOLECULAR CONJUGATES PROLYNX LLC (US) 2016-06-29 EP disclosed
CN-103025165-B From the controlled release of macromolecular conjugates 普罗林科斯有限责任公司 2016-06-08 CN disclosed
US-8946405-B2 Controlled release from solid supports PROLYNX LLC (US) 2015-02-03 US disclosed
US-8754190-B2 Controlled release from macromolecular conjugates PROLYNX LLC (US) 2014-06-17 US disclosed
US-8703907-B2 Controlled drug release from dendrimers PROLYNX LLC (US) 2014-04-22 US disclosed
US-20130123487-A1 CONTROLLED RELEASE FROM SOLID SUPPORTS PROLYNX LLC (US) 2013-05-16 US disclosed
US-20130123461-A1 CONTROLLED DRUG RELEASE FROM DENDRIMERS PROLYNX LLC (US) 2013-05-16 US disclosed
US-20130116407-A1 CONTROLLED RELEASE FROM MACROMOLECULAR CONJUGATES PROLYNX LLC 2013-05-09 US disclosed
EP-2571496-A1 CONTROLLED DRUG RELEASE FROM DENDRIMERS Prolynx Llc (US) 2013-03-27 EP disclosed
EP-2566335-A1 CONTROLLED RELEASE FROM MACROMOLECULAR CONJUGATES Prolynx Llc (US) 2013-03-13 EP disclosed
EP-2566334-A1 CONTROLLED DRUG RELEASE FROM SOLID SUPPORTS Prolynx Llc (US) 2013-03-13 EP disclosed
WO-2011140376-A1 CONTROLLED DRUG RELEASE FROM DENDRIMERS PROLYNX LLC (US) 2011-11-10 WO disclosed
WO-2011140393-A1 CONTROLLED RELEASE FROM MACROMOLECULAR CONJUGATES PROLYNX LLC (US) 2011-11-10 WO disclosed
WO-2011140392-A1 CONTROLLED DRUG RELEASE FROM SOLID SUPPORTS PROLYNX LLC (US) 2011-11-10 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 (3 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-20130123487-A1 CONTROLLED RELEASE FROM SOLID SUPPORTS SLC43A1, ABCB1, NAPA TSHR 2149/4885ALDH1A1 3598/4885ATM 4724/4885
US-20130123461-A1 CONTROLLED DRUG RELEASE FROM DENDRIMERS SLC43A1, SLC47A1, SLC47A2 TSHR 1457/4885ALDH1A1 2780/4885ATM 4803/4885
US-20130116407-A1 CONTROLLED RELEASE FROM MACROMOLECULAR CONJUGATES ABCB1, ABCB11, GUSB TSHR 1092/4885ALDH1A1 1951/4885ATM 4550/4885

“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.