SCHEMBL18172860

SCHEMBL18172860

COCC/C(=C\c1ccccc1)CO

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.40
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
APEX1 P27695 3/20 0.38
LMNA P02545 3/20 0.37
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
AKR1C3 P42330 1/20 0.36
RECQL P46063 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TRPA1 O75762 2/20 0.34
HTT P42858 1/20 0.34
CYP2D6 P10635 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HSP90AA1 P07900 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL18172863 1.00 NR1I2 (0.40) NR1I2KMT2AMEN1APEX1LMNA
SCHEMBL216869 0.78 TSHR (0.43) NR1I2KMT2AMEN1ALDH1A1TSHR
SCHEMBL12291966 0.76 LMNA (0.51) NR1I2KMT2AMEN1LMNAALDH1A1
SCHEMBL1171617 0.75 LMNA (0.58) KMT2AMEN1LMNATDP1
SCHEMBL17629458 0.75 LMNA (0.58) KMT2AMEN1LMNATDP1
SCHEMBL1245024 0.75 LMNA (0.58) KMT2AMEN1LMNATDP1
SCHEMBL872839 0.75 LMNA (0.58) KMT2AMEN1LMNATDP1
SCHEMBL28293058 0.75 TRPA1 (0.52) NR1I2KMT2AMEN1LMNAALDH1A1
SCHEMBL28472907 0.75 TRPA1 (0.52) NR1I2KMT2AMEN1LMNAALDH1A1
Alcohol SCHEMBL3314314 0.74 LMNA (0.57) KMT2AMEN1LMNATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3286172-B1 LSD1 INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS INC (US) 2019-06-12 EP disclosed
EP-3286172-B1 LSD1 INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS INC (US) 2019-06-12 EP disclosed
US-20180290976-A1 LSD1 INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. 2018-10-11 US disclosed
EP-3286172-A1 LSD1 INHIBITORS AND USES THEREOF Constellation Pharmaceuticals, Inc. (US) 2018-02-28 EP disclosed
WO-2016172496-A1 LSD1 INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2016-10-27 WO disclosed
WO-2016172496-A1 LSD1 INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2016-10-27 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-20180290976-A1 LSD1 INHIBITORS AND USES THEREOF KDM1B, KDM1A, KDM2A NR1I2 295/4885KMT2A 26/4885MEN1 3493/4885

“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.