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
SCHEMBL916701 0.84 KDM4E (0.36) ALDH1A1HTTEPHX2MAOBTSHR
SCHEMBL5250121 0.84 SMN1; SMN2 (0.53) ALDH1A1HTTSMN1; SMN2MEN1KMT2A
SCHEMBL642703 0.82 FDPS (0.42) ALDH1A1TSHRHPGD
SCHEMBL3086597 0.82 IDO1 (0.34) ALDH1A1KMT2AIDO1TSHR
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
SCHEMBL9273637 0.79 TSHR (0.39) ALDH1A1NPC1SMN1; SMN2KMT2ARAB9A

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.

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