SCHEMBL18172808

SCHEMBL18172808

O=C(O)C1CC1C=Cc1ccccc1F

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 7/20 0.46
MAOB P27338 3/20 0.41
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 1/20 0.39
CYP1B1 Q16678 1/20 0.39
MAPT P10636 2/20 0.38
RECQL P46063 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAOA P21397 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HIF1A Q16665 1/20 0.37

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
SCHEMBL18172807 1.00 NFE2L2 (0.46) NFE2L2MAOBCYP1A2CYP2D6CYP1B1
SCHEMBL21088642 0.86 NFE2L2 (0.44) NFE2L2MAOBCYP1A2CYP2D6CYP1B1
SCHEMBL4084006 0.80 FFAR4 (0.43) RECQLKMT2A
SCHEMBL4084007 0.80 FFAR4 (0.43) RECQLKMT2A
SCHEMBL18182610 0.79 ALDH1A1 (0.45) NFE2L2MAOBCYP1A2MAPTMEN1
SCHEMBL18173088 0.79 NFE2L2 (0.38) NFE2L2MAOBCYP1A2CYP2D6CYP1B1
SCHEMBL18173086 0.79 NFE2L2 (0.38) NFE2L2MAOBCYP1A2CYP2D6CYP1B1
SCHEMBL18172735 0.78 KDM1A (0.56) MAOBCYP1A2CYP2D6CYP1B1MAPT
SCHEMBL18172738 0.78 KDM1A (0.56) MAOBCYP1A2CYP2D6CYP1B1MAPT
SCHEMBL18173266 0.78 KDM1A (0.56) MAOBCYP1A2CYP2D6CYP1B1MAPT

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 4 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
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

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 NFE2L2 411/4885MAOB 241/4885CYP1A2 378/4885

“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.