SCHEMBL6917152

SCHEMBL6917152

OC1(Br)CCCc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.47
AKR1B1 P15121 2/20 0.44
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TSHR P16473 2/20 0.41
SIGMAR1 Q99720 3/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
DRD2 P14416 1/20 0.41
NFKB1 P19838 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTR2B P41595 1/20 0.41
MTOR P42345 1/20 0.41
BLM P54132 1/20 0.40
PMP22 Q01453 1/20 0.40

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
SCHEMBL7887551 0.88 KDM1A (0.46) KDM1ATSHRSIGMAR1TP53CYP1A2
SCHEMBL7351821 0.88 KDM1A (0.46) KDM1ATSHRSIGMAR1TP53CYP1A2
SCHEMBL3832135 0.88 KDM1A (0.46) KDM1ATSHRSIGMAR1TP53CYP1A2
SCHEMBL31629514 0.79 KDM1A (0.50) KDM1AAKR1B1MEN1KMT2ATSHR
SCHEMBL4195493 0.79 KDM1A (0.50) KDM1AAKR1B1MEN1KMT2ATSHR
SCHEMBL4144872 0.76 KDM1A (0.56) KDM1AAKR1B1MEN1KMT2ATSHR
SCHEMBL19282765 0.76 KDM1A (0.47) KDM1AAKR1B1MEN1KMT2ATSHR
SCHEMBL6440070 0.76 KDM1A (0.56) KDM1AAKR1B1MEN1KMT2ATSHR
SCHEMBL6689565 0.76 KDM1A (0.56) KDM1AAKR1B1MEN1KMT2ASIGMAR1
SCHEMBL29617949 0.76 KDM1A (0.56) KDM1AAKR1B1MEN1KMT2ASIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105745231-B Method for producing polymers from pyridyldiamido transition metal complexes and use thereof 埃克森美孚化学专利公司 2019-09-13 CN disclosed
EP-2780014-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF Constellation Pharmaceuticals, Inc. (US) 2014-09-24 EP disclosed
WO-2013075083-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS (US) 2013-05-23 WO disclosed
US-20040019072-A1 Dimer-selective RXR modulators and methods for their use CANAN-KOCH STACIE (US) 2004-01-29 US disclosed
EP-1336600-A2 Dimer-selective RXR modulators and methods for their use LIGAND PHARMACEUTICALS INCORPORATED (US) 2003-08-20 EP disclosed
US-6545049-B1 E.g., (2E, 4E, 6E)-7-(3,5-diisopropyl-2-n-heptyloxyphenyl)-3-methylocta-2,4,6-trienoic acid, esters or amides thereof LIGAND PHARMACEUTICALS INCORPORATED 2003-04-08 US disclosed
EP-0873295-A1 DIMER-SELECTIVE RXR MODULATORS AND METHODS FOR THEIR USE LIGAND PHARMACEUTICALS, INC. (US) 1998-10-28 EP disclosed
WO-1997012853-A1 DIMER-SELECTIVE RXR MODULATORS AND METHODS FOR THEIR USE LIGAND PHARMACEUTICALS INCORPORATED (US) 1997-04-10 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 (1 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-20040019072-A1 Dimer-selective RXR modulators and methods for their use RXRG, RXRB, RXRA KDM1A 2707/4885AKR1B1 2769/4885MEN1 4827/4885

“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.