SCHEMBL18173271

SCHEMBL18173271

C=C/C=C(\C)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.43
KDM1A O60341 1/20 0.42
DEGS1 O15121 1/20 0.41
CES2 O00748 2/20 0.39
CES1 P23141 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 3/20 0.35
TSHR P16473 3/20 0.35
DAO P14920 1/20 0.35
NAPRT Q6XQN6 1/20 0.35
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ESR1 P03372 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
SCHEMBL3689955 1.00 AKT1 (0.43) AKT1KDM1ADEGS1CES2CES1
SCHEMBL1136742 1.00 AKT1 (0.43) AKT1KDM1ADEGS1CES2CES1
SCHEMBL27478247 0.98 AKT1 (0.41) AKT1KDM1ADEGS1CES2CES1
SCHEMBL23458237 0.85 KDM1A (0.48) AKT1KDM1ADEGS1CES2CES1
SCHEMBL23458124 0.85 KDM1A (0.48) AKT1KDM1ADEGS1CES2CES1
SCHEMBL6900954 0.85 KDM1A (0.48) AKT1KDM1ADEGS1CES2CES1
SCHEMBL11206059 0.85 KDM1A (0.48) AKT1KDM1ADEGS1CES2CES1
SCHEMBL3258897 0.85 KDM1A (0.39) AKT1KDM1ADEGS1CES2CES1
SCHEMBL25493218 0.85 KDM1A (0.39) AKT1KDM1ADEGS1CES2CES1
Acrolein SCHEMBL18954138 0.83 AKT1 (0.42) AKT1KDM1ADEGS1CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3519412-B1 CYANOPYRROLIDINE DERIVATIVES WITH ACTIVITY AS INHIBITORS OF USP30 MISSION THERAPEUTICS LTD (GB) 2021-12-01 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-3042943-B1 COMPOSITION FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC OPTOELECTRONIC DEVICE, AND DISPLAY DEVICE SAMSUNG SDI CO LTD (KR) 2018-03-28 EP disclosed
EP-3286172-A1 LSD1 INHIBITORS AND USES THEREOF Constellation Pharmaceuticals, Inc. (US) 2018-02-28 EP disclosed
WO-2017209487-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2017-12-07 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 AKT1 2612/4885KDM1A 2/4885DEGS1 3621/4885

“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.