SCHEMBL2877248

SCHEMBL2877248

Cc1cccc(C2CC(C(=O)O)CCC2C(=O)O)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.44
HTR2A P28223 1/20 0.44
HTR2B P41595 1/20 0.44
AKR1C3 P42330 1/20 0.41
AKR1C1 Q04828 1/20 0.41
FFAR1 O14842 2/20 0.37
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NOTUM Q6P988 1/20 0.34
EDNRB P24530 1/20 0.34
EDNRA P25101 1/20 0.34
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MGLL Q99685 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
SCHEMBL3419095 0.87 HTR2C (0.49) HTR2CHTR2AHTR2BFFAR1EDNRB
SCHEMBL2994576 0.74 TAS1R3 (0.43) AKR1C3AKR1C1MAPTMEN1KMT2A
SCHEMBL2994577 0.74 TAS1R3 (0.43) AKR1C3AKR1C1MAPTMEN1KMT2A
SCHEMBL2994573 0.74 TAS1R3 (0.43) AKR1C3AKR1C1MAPTMEN1KMT2A
SCHEMBL3423257 0.74 FFAR1 (0.52) HTR2CHTR2AHTR2BFFAR1
SCHEMBL14892502 0.74 FFAR1 (0.52) HTR2CHTR2AHTR2BFFAR1
SCHEMBL3421675 0.72 FFAR1 (0.45) FFAR1POLBRAB9ATDP1PTGS2
SCHEMBL819394 0.72 AKR1C3 (0.65) HTR2CAKR1C3AKR1C1FFAR1MAPT
SCHEMBL2014692 0.70 KEAP1 (0.44) FFAR1KEAP1NFE2L2MAPTMEN1
SCHEMBL2957757 0.70 FFAR1 (0.43) FFAR1EDNRBEDNRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8426639-B2 Preparation of trans, trans muconic acid and trans, trans muconates Amyris, Inc. (US) 2013-04-23 US disclosed
US-20100314243-A1 PREPARATION OF TRANS,TRANS MUCONIC ACID AND TRANS,TRANS MUCONATES DRATHS CORPORATION (US) 2010-12-16 US 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-20100314243-A1 PREPARATION OF TRANS,TRANS MUCONIC ACID AND TRANS,TRANS MUCONATES MUC1, FUT6, ST6GAL1 HTR2C 4764/4885HTR2A 4119/4885HTR2B 4118/4885

“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.