SCHEMBL5873299

SCHEMBL5873299

CC(C)(C)c1ccc(C(C)(C)C)c(C(=O)O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.57
NR1H4 Q96RI1 2/20 0.46
SRD5A2 P31213 1/20 0.46
AKR1C2 P52895 3/20 0.45
AKR1C1 Q04828 1/20 0.45
RXRB P28702 3/20 0.45
HSP90AA1 P07900 2/20 0.44
HSP90AB1 P08238 1/20 0.44
NOTUM Q6P988 1/20 0.43
NPC1 O15118 1/20 0.42
PKM P14618 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GLRA3 O75311 1/20 0.42
GLRB P48167 1/20 0.42
RXRA P19793 2/20 0.42
AKR1C3 P42330 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42

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
SCHEMBL7266909 0.90 TDP1 (0.56) TDP1NR1H4SRD5A2AKR1C2AKR1C1
SCHEMBL17896564 0.87 CES2 (0.58) TDP1NR1H4SRD5A2AKR1C2AKR1C1
SCHEMBL4631399 0.86 TDP1 (0.59) TDP1NR1H4SRD5A2AKR1C2AKR1C1
SCHEMBL27888034 0.84 TDP1 (0.57) TDP1NR1H4SRD5A2AKR1C2AKR1C1
SCHEMBL27923138 0.84 TDP1 (0.57) TDP1NR1H4SRD5A2AKR1C2AKR1C1
SCHEMBL1356449 0.83 TDP1 (0.71) TDP1NR1H4SRD5A2AKR1C2AKR1C1
SCHEMBL31528338 0.83 TDP1 (0.71) TDP1NR1H4SRD5A2AKR1C2AKR1C1
SCHEMBL2856806 0.82 TDP1 (0.44) TDP1NR1H4HSP90AA1HSP90AB1PKM
SCHEMBL27904859 0.82 TDP1 (0.56) TDP1NR1H4SRD5A2AKR1C2AKR1C1
SCHEMBL28506952 0.82 TDP1 (0.69) TDP1NR1H4SRD5A2AKR1C2AKR1C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7041848-B2 Method for oxidizing hydrocarbons into acids RHODIA POLYMIDE INTERMEDIATES (FR) 2006-05-09 US claimed
EP-1268384-B1 METHOD FOR OXIDISING CYCLOHEXANE IN ACIDS RHODIA POLYAMIDE INTERMEDIATES (FR) 2005-10-19 EP claimed
US-20030166967-A1 Method for oxidising hydrocarbons into acids RHODIA POLYMIDE INTERMEDIATES (FR) 2003-09-04 US claimed
US-11572370-B2 CD16A binding agents and uses thereof BIOHAVEN THERAPEUTICS LTD. (US) 2023-02-07 US disclosed
US-7041848-B2 Method for oxidizing hydrocarbons into acids RHODIA POLYMIDE INTERMEDIATES (FR) 2006-05-09 US disclosed
US-20030166967-A1 Method for oxidising hydrocarbons into acids RHODIA POLYMIDE INTERMEDIATES (FR) 2003-09-04 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-11572370-B2 CD16A binding agents and uses thereof FCGR1A, FCGR2A, FCGR3B TDP1 2251/4885NR1H4 2087/4885SRD5A2 4496/4885

“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.