SCHEMBL6128103

SCHEMBL6128103

O=C(O)C1=CC=CC(C(=O)O)(c2ccccc2)C1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 1/20 0.37
HDAC9 Q9UKV0 1/20 0.36
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
HDAC4 P56524 4/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HSD11B1 P28845 1/20 0.31
THRB P10828 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL28808541 0.89 HDAC9 (0.33) AKR1C1HDAC9
SCHEMBL29094947 0.83 TSHR (0.39) AKR1C1HDAC9LMNAHTTTSHR
SCHEMBL1434701 0.78 HDAC9 (0.34) AKR1C1HDAC9HDAC4TSHRMAPK1
SCHEMBL28185148 0.78 OPRM1 (0.34) AKR1C1HDAC9HDAC4KMT2A
SCHEMBL28794322 0.77 HDAC9 (0.39) AKR1C1HDAC9HDAC4TSHRMAPK1
SCHEMBL28468921 0.72 AKR1C1 (0.36) AKR1C1HDAC9LMNAHTTHDAC4
SCHEMBL27321836 0.71 AKR1C1 (0.35) AKR1C1HDAC9LMNAHTTHDAC4
Naphthalene SCHEMBL27264877 0.71 KDM4E (0.33) TSHRMAPK1HSD17B10TDP1KMT2A
Biphenyl SCHEMBL28741663 0.71 KMO (0.35) LMNAMAPK1KMT2A
SCHEMBL8210522 0.71 TSHR (0.37) TSHRMAPK1HSD17B10TDP1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120130071-A1 METHOD FOR OXIDIZING METHANE STUDIENGESELLSCHAFT KOHLE MBH (DE) 2012-05-24 US claimed
CN-114716592-B Propylene polymerization catalyst component, catalyst and preparation method thereof 中国石油天然气股份有限公司 2023-10-31 CN disclosed
CN-114716592-A Propylene polymerization catalyst component, catalyst and preparation method thereof 中国石油天然气股份有限公司 2022-07-08 CN disclosed
US-20120130071-A1 METHOD FOR OXIDIZING METHANE STUDIENGESELLSCHAFT KOHLE MBH (DE) 2012-05-24 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-20120130071-A1 METHOD FOR OXIDIZING METHANE TST, MGMT, PMS2 AKR1C1 3521/4885HDAC9 1780/4885LMNA 4580/4885

“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.