SCHEMBL4878154

SCHEMBL4878154

CC(C)C(=Cc1cccs1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCAR2 Q8TDS4 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.46
▸ MAPT P10636 5/20 0.44
▸ LMNA P02545 3/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ HPGD P15428 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ POLB P06746 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ BLM P54132 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ TAS1R3 Q7RTX0 1/20 0.40
▸ TAS1R1 Q7RTX1 1/20 0.40
▸ GCK P35557 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL4878146 1.00 HCAR2 (0.47) HCAR2ALDH1A1MAPTLMNANPSR1
SCHEMBL4878144 1.00 HCAR2 (0.47) HCAR2ALDH1A1MAPTLMNANPSR1
SCHEMBL16160014 0.86 MAPT (0.48) HCAR2ALDH1A1MAPTLMNANPSR1
SCHEMBL5462461 0.80 MAPT (0.46) HCAR2ALDH1A1MAPTLMNANPSR1
SCHEMBL5462463 0.80 MAPT (0.46) HCAR2ALDH1A1MAPTLMNANPSR1
SCHEMBL8182843 0.77 AKR1C3 (0.52) HCAR2ALDH1A1MAPTLMNANPSR1
SCHEMBL1930557 0.77 AKR1C3 (0.52) HCAR2ALDH1A1MAPTLMNANPSR1
SCHEMBL8303646 0.76 HCAR2 (0.55) HCAR2ALDH1A1MAPTLMNANPSR1
SCHEMBL11539420 0.76 HCAR2 (0.55) HCAR2ALDH1A1MAPTLMNANPSR1
SCHEMBL8303644 0.76 HCAR2 (0.55) HCAR2ALDH1A1MAPTLMNANPSR1

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-20080242876-A1 Process For the Manufacture of Substituted Propionic Acids PHOENIX CHEMICALS LTD. (GB) 2008-10-02 — — US disclosed
EP-1838654-A1 PROCESS FOR THE MANUFACTURE OF SUBSTITUTED PROPIONIC ACIDS Phoenix Chemicals Limited (GB) 2007-10-03 — — EP disclosed
WO-2006075177-A1 PROCESS FOR THE MANUFACTURE OF SUBSTITUTED PROPIONIC ACIDS PHOENIX CHEMICALS LTD. (GB) 2006-07-20 — — 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-20080242876-A1 Process For the Manufacture of Substituted Propionic Acids AS3MT, PPA1, AGPS HCAR2 1009/4885ALDH1A1 14/4885MAPT 3886/4885

“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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