SCHEMBL18172936

SCHEMBL18172936

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.49
ALDH1A1 P00352 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
CYP1A2 P05177 2/20 0.47
HSD17B10 Q99714 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
CTSK P43235 1/20 0.46
TUBB4A P04350 3/20 0.45
TUBB P07437 3/20 0.45
TUBA3C P0DPH7 3/20 0.45

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
SCHEMBL18172939 1.00 KDM1A (0.49) KDM1AALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL18182175 0.84 ADORA3 (0.51) KDM1AALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL18182178 0.84 ADORA3 (0.51) KDM1AALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL18172563 0.83 LMNA (0.50) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL18172559 0.83 LMNA (0.50) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL18172735 0.82 KDM1A (0.56) KDM1AALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL18172738 0.82 KDM1A (0.56) KDM1AALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL18173266 0.82 KDM1A (0.56) KDM1AALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL21088669 0.79 KDM1A (0.58) KDM1AALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL21088859 0.79 KDM1A (0.58) KDM1AALDH1A1SMN1; SMN2LMNAMAPT

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 2/4885ALDH1A1 187/4885SMN1; SMN2 567/4885

“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.