SCHEMBL2804705

SCHEMBL2804705

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 4/20 0.55
MEN1 O00255 1/20 0.53
CYP1A2 P05177 1/20 0.53
KMT2A Q03164 1/20 0.53
TPMT P51580 1/20 0.50
RARB P10826 1/20 0.50
RARG P13631 1/20 0.50
TP53 P04637 1/20 0.48
TSHR P16473 1/20 0.48
NR1H4 Q96RI1 3/20 0.47
EPHX2 P34913 2/20 0.47
RXRA P19793 3/20 0.46
RXRB P28702 3/20 0.46
NR4A2 P43354 1/20 0.46
RXRG P48443 1/20 0.46
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CA1 P00915 1/20 0.42
CA2 P00918 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
SCHEMBL9653084 0.82 SRD5A2 (0.57) SRD5A2MEN1CYP1A2KMT2ATPMT
SCHEMBL444583 0.82 MEN1 (0.59) SRD5A2MEN1CYP1A2KMT2ATPMT
SCHEMBL448814 0.80 SHBG (0.59) SRD5A2MEN1CYP1A2KMT2ATPMT
SCHEMBL3528575 0.80 TAAR1 (0.57) SRD5A2MEN1CYP1A2KMT2ATPMT
SCHEMBL4888416 0.79 SRD5A2 (0.83) SRD5A2MEN1CYP1A2KMT2ARARB
SCHEMBL7546320 0.78 ESR1 (0.60) SRD5A2MEN1CYP1A2KMT2ARARB
SCHEMBL5177528 0.78 SRD5A2 (0.53) SRD5A2MEN1CYP1A2KMT2ATPMT
SCHEMBL5988818 0.77 SRD5A2 (0.52) SRD5A2MEN1CYP1A2KMT2ATPMT
SCHEMBL6573330 0.77 SRD5A2 (0.52) SRD5A2MEN1CYP1A2KMT2ATPMT
SCHEMBL7146203 0.77 SRD5A2 (0.61) SRD5A2MEN1CYP1A2KMT2ATPMT

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-8410247-B2 Water-soluble phosphinothiol reagents WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-04-02 US disclosed
US-20100048866-A1 WATER-SOLUBLE PHOSPHINOTHIOL REAGENTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-02-25 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-20100048866-A1 WATER-SOLUBLE PHOSPHINOTHIOL REAGENTS PTMS, PHOSPHO1, ACP1 SRD5A2 4598/4885MEN1 1035/4885CYP1A2 4688/4885

“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.