SCHEMBL18173489

SCHEMBL18173489

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.61
TSHR P16473 2/20 0.61
AKR1C3 P42330 1/20 0.50
MAPT P10636 3/20 0.46
KMT2A Q03164 1/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
FBP1 P09467 1/20 0.45
GLA P06280 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
KDM1A O60341 1/20 0.42
RECQL P46063 1/20 0.42
ALOX15 P16050 1/20 0.42
NISCH Q9Y2I1 1/20 0.42

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
SCHEMBL9142807 1.00 ALDH1A1 (0.61) ALDH1A1TSHRAKR1C3MAPTKMT2A
Styrene SCHEMBL10790042 0.94 ALDH1A1 (0.58) ALDH1A1TSHRAKR1C3MAPTKMT2A
SCHEMBL250268 0.80 ALDH1A1 (0.55) ALDH1A1TSHRAKR1C3MAPTKMT2A
SCHEMBL3975319 0.80 ALDH1A1 (0.54) ALDH1A1TSHRAKR1C3MAPTKMT2A
SCHEMBL301021 0.80 ALDH1A1 (0.54) ALDH1A1TSHRAKR1C3MAPTKMT2A
SCHEMBL301020 0.80 ALDH1A1 (0.54) ALDH1A1TSHRAKR1C3MAPTKMT2A
SCHEMBL585241 0.80 ALDH1A1 (0.67) ALDH1A1TSHRAKR1C3MAPTKMT2A
SCHEMBL585239 0.80 ALDH1A1 (0.67) ALDH1A1TSHRAKR1C3MAPTKMT2A
SCHEMBL21055174 0.79 ESR1 (0.54) ALDH1A1MAPTKMT2ACYP2C9LMNA
SCHEMBL29281424 0.79 MAPT (0.44) ALDH1A1TSHRMAPTKMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114957120-A Alkenyl homopiperidine compound and preparation method thereof 苏州大学 2022-08-30 CN 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

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 ALDH1A1 187/4885TSHR 4232/4885AKR1C3 2059/4885

“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.