SCHEMBL18172735

SCHEMBL18172735

O=C(O)C1CC1/C=C\c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.56
CTSK P43235 1/20 0.45
LMNA P02545 3/20 0.44
MAPT P10636 3/20 0.44
HDAC3 O15379 2/20 0.44
HDAC4 P56524 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
PLIN1 O60240 2/20 0.44
RECQL P46063 2/20 0.44
PLIN5 Q00G26 2/20 0.44
ABHD5 Q8WTS1 2/20 0.44
TNKS O95271 1/20 0.44
HCAR2 Q8TDS4 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
TNKS2 Q9H2K2 1/20 0.44

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
SCHEMBL18173266 1.00 KDM1A (0.56) KDM1ACTSKLMNAMAPTHDAC3
SCHEMBL18172738 1.00 KDM1A (0.56) KDM1ACTSKLMNAMAPTHDAC3
SCHEMBL21088859 0.86 KDM1A (0.58) KDM1ACTSKLMNAMAPTHDAC3
SCHEMBL21088669 0.86 KDM1A (0.58) KDM1ACTSKLMNAMAPTHDAC3
SCHEMBL18172595 0.82 MAPT (0.51) LMNAMAPTCYP1A2CYP2D6TDP1
SCHEMBL18172598 0.82 MAPT (0.51) LMNAMAPTCYP1A2CYP2D6TDP1
SCHEMBL21088849 0.82 KDM1A (0.49) KDM1ACTSKLMNAMAPTHDAC3
SCHEMBL18172936 0.82 KDM1A (0.49) KDM1ACTSKLMNAMAPTALDH1A1
SCHEMBL18172939 0.82 KDM1A (0.49) KDM1ACTSKLMNAMAPTALDH1A1
SCHEMBL18182909 0.79 KDM1A (0.50) KDM1ACTSKLMNAMAPTHDAC3

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 KDM1A 2/4885CTSK 2727/4885LMNA 1196/4885

“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.