SCHEMBL901668

SCHEMBL901668

CCC(C)OP(=O)(O)Cc1ccccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
HTT P42858 2/20 0.41
NPC1 O15118 2/20 0.39
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
EPHX2 P34913 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
RAB9A P51151 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
IDO1 P14902 1/20 0.34
TSHR P16473 1/20 0.34
HPGD P15428 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
SCHEMBL916315 0.85 TSHR (0.49) HTTMEN1KMT2AIDO1TSHR
SCHEMBL5250121 0.84 SMN1; SMN2 (0.53) ALDH1A1HTTSMN1; SMN2MEN1KMT2A
SCHEMBL916701 0.84 KDM4E (0.36) ALDH1A1HTTEPHX2MAOBTSHR
SCHEMBL3086597 0.82 IDO1 (0.34) ALDH1A1KMT2AIDO1TSHR
SCHEMBL642703 0.82 FDPS (0.42) ALDH1A1TSHRHPGD
SCHEMBL2008230 0.82 EPHX2 (0.36) EPHX2IDO1TSHRHPGD
SCHEMBL9386757 0.80 SRC (0.39) ALDH1A1HTTSMN1; SMN2MEN1KMT2A
SCHEMBL915190 0.80 FOLH1 (0.40) ALDH1A1HTTMEN1KMT2ATSHR
SCHEMBL8958928 0.80 HSD17B10 (0.43) ALDH1A1HTTNPC1SLC6A2SLC6A4
SCHEMBL4070829 0.79 EPHX2 (0.40) ALDH1A1EPHX2KMT2AMAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130274466-A1 PROCESS FOR THE PREPARATION OF TETRACYCLIC DERIVATIVES AND INTERMEDIATE PRODUCTS USED IN THE PROCESS ALPHORA RESEARCH INC. (CA) 2013-10-17 US disclosed
EP-2621898-A1 PROCESS FOR THE PREPARATION OF TETRACYCLIC DERIVATIVES AND INTERMEDIATE PRODUCTS USED IN THE PROCESS Alphora Research Inc. (CA) 2013-08-07 EP disclosed
WO-2012040845-A1 PROCESS FOR THE PREPARATION OF TETRACYCLIC DERIVATIVES AND INTERMEDIATE PRODUCTS USED IN THE PROCESS ALPHORA RESEARCH INC. (CA) 2012-04-05 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-20130274466-A1 PROCESS FOR THE PREPARATION OF TETRACYCLIC DERIVATIVES AND INTERMEDIATE PRODUCTS USED IN THE PROCESS NISCH, SSRP1, UMPS ALDH1A1 261/4885HTT 1828/4885NPC1 1098/4885

“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.