SCHEMBL10936588

SCHEMBL10936588

CC(=O)C(C)c1ccc(C(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
TP53 P04637 1/20 0.52
PTGS2 P35354 6/20 0.48
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
SRD5A2 P31213 2/20 0.46
PTGS1 P23219 5/20 0.46
CYP2C9 P11712 4/20 0.46
LMNA P02545 3/20 0.46
AKR1C3 P42330 2/20 0.46
CXCR1 P25024 2/20 0.46
CXCR2 P25025 2/20 0.46
ALB P02768 1/20 0.46
ESR1 P03372 1/20 0.46
ALOX5 P09917 1/20 0.46
RARB P10826 1/20 0.46
ADRB3 P13945 1/20 0.46
NFKB1 P19838 1/20 0.46
HTR2A P28223 1/20 0.46

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
SCHEMBL6688306 0.89 PTGS2 (0.61) TSHRTP53PTGS2KMT2AALDH1A1
SCHEMBL4488292 0.89 PTGS2 (0.61) TSHRTP53PTGS2KMT2AALDH1A1
SCHEMBL8833485 0.84 TSHR (0.55) TSHRTP53PTGS2KMT2AALDH1A1
SCHEMBL28999792 0.84 LMNA (0.46) TSHRPTGS2KMT2AALDH1A1SMN1; SMN2
SCHEMBL2000487 0.83 TSHR (0.48) TSHRTP53PTGS2KMT2AALDH1A1
SCHEMBL5569785 0.83 TSHR (0.52) TSHRTP53PTGS2KMT2AALDH1A1
SCHEMBL801382 0.82 PTGS2 (0.59) PTGS2ALDH1A1SMN1; SMN2SRD5A2PTGS1
SCHEMBL13171972 0.81 PTGS2 (0.42) TSHRPTGS2ALDH1A1PTGS1CYP2C9
SCHEMBL9577279 0.81 TSHR (0.50) TSHRTP53PTGS2KMT2AALDH1A1
SCHEMBL2149876 0.81 PTGS2 (0.42) TSHRPTGS2ALDH1A1PTGS1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4548811-A COMPRISING A MERCAPTO AND A CYCLODEXTRIN-CARBO KETONE INCLUSION CO SHISEIDO COMPANY LTD. (JP) 1985-10-22 US claimed
US-4547365-A CYCLODEXTRINS AND ALDEHYDE OR KETONE COMPOUNDS; ODORLESS SHISEIDO COMPANY LTD. (JP) 1985-10-15 US claimed
US-9624209-B2 Substituted phenylureas and phenylamides as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2017-04-18 US disclosed
US-9120756-B2 Substituted phenylureas and phenylamides as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2015-09-01 US disclosed
US-20150099728-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands MEDIFRON DBT INC. (KR) 2015-04-09 US disclosed
US-8946204-B2 Substituted phenylureas and phenylamides as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2015-02-03 US disclosed
US-20150011592-A9 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2015-01-08 US disclosed
US-20140142143-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2014-05-22 US disclosed
US-20120258946-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2012-10-11 US disclosed
EP-1801165-B1 Modified carbocyanine dyes and their conjugates LIFE TECHNOLOGIES CORP (US) 2012-08-01 EP disclosed
US-4548811-A COMPRISING A MERCAPTO AND A CYCLODEXTRIN-CARBO KETONE INCLUSION CO SHISEIDO COMPANY LTD. (JP) 1985-10-22 US disclosed
US-4547365-A CYCLODEXTRINS AND ALDEHYDE OR KETONE COMPOUNDS; ODORLESS SHISEIDO COMPANY LTD. (JP) 1985-10-15 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 (4 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-20150099728-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands TRPV1, TRPV5, TRPV6 TSHR 611/4885TP53 3587/4885PTGS2 1336/4885
US-20120258946-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands TRPV1, TRPV5, TRPV6 TSHR 611/4885TP53 3587/4885PTGS2 1336/4885
US-20150011592-A9 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands TRPV1, TRPV5, TRPV2 TSHR 662/4885TP53 3789/4885PTGS2 1571/4885
US-20140142143-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands TRPV1, TRPV5, TRPV2 TSHR 662/4885TP53 3789/4885PTGS2 1571/4885

“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.