SCHEMBL12389853

SCHEMBL12389853

CCOc1ccccc1C1=CCCc2ccc(C(=O)O)cc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 1/20 0.49
▸ MRGPRX4 Q96LA9 1/20 0.48
▸ TP53 P04637 6/20 0.45
▸ MDM2 Q00987 6/20 0.45
▸ POLB P06746 1/20 0.44
▸ CASP6 P55212 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ SRD5A1 P18405 1/20 0.43
▸ SRD5A2 P31213 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ HPGD P15428 3/20 0.43
▸ MAPT P10636 2/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ PTGER1 P34995 1/20 0.42
▸ ATM Q13315 1/20 0.41
▸ LMNA P02545 1/20 0.40

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
SCHEMBL12389769 0.89 CREBBP (0.40) TTRTP53TSHRALDH1A1HPGD
SCHEMBL12390182 0.87 SRD5A2 (0.46) TTRMRGPRX4TSHRSRD5A1SRD5A2
SCHEMBL12390376 0.85 SLC9A1 (0.48) MRGPRX4
SCHEMBL12390202 0.83 TTR (0.47) TTRSRD5A1SRD5A2ALDH1A1PTGER1
SCHEMBL12365490 0.83 SRD5A2 (0.47) TTRPOLBGAASRD5A1SRD5A2
SCHEMBL12365529 0.81 SRD5A2 (0.43) TTRMRGPRX4POLBSRD5A1SRD5A2
SCHEMBL12390264 0.81 CSNK2A2 (0.44) TTRMRGPRX4SRD5A1SRD5A2ALDH1A1
SCHEMBL12364992 0.80 SRD5A2 (0.49) TTRPOLBSRD5A1SRD5A2ALDH1A1
SCHEMBL12389773 0.80 TDP1 (0.40) TP53MDM2TSHRGAAALDH1A1
SCHEMBL12388982 0.80 SRD5A2 (0.44) TTRMRGPRX4GAASRD5A1SRD5A2

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-20110207729-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2011-08-25 — — US disclosed
EP-2177505-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2010-04-21 — — EP 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-20110207729-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE HTR5A, HTR2A, HTR1E TTR 3588/4885MRGPRX4 2358/4885TP53 2500/4885

“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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