SCHEMBL23060739

SCHEMBL23060739

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 3/20 0.55
▸ RARB P10826 1/20 0.50
▸ RARG P13631 1/20 0.50
▸ MEN1 O00255 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ TP53 P04637 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ EPHX2 P34913 3/20 0.47
▸ NR1H4 Q96RI1 3/20 0.47
▸ RXRA P19793 2/20 0.46
▸ RXRB P28702 2/20 0.46
▸ RXRG P48443 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ ESRRG P62508 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HIF1A Q16665 1/20 0.43

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
SCHEMBL9003755 0.88 SRD5A2 (0.55) SRD5A2RARBRARGMEN1CYP1A2
Aminobenzoic Acid SCHEMBL28344387 0.83 TSHR (0.52) SRD5A2RARBRARGMEN1CYP1A2
Aminobenzoic Acid SCHEMBL11323913 0.83 TSHR (0.63) SRD5A2CYP1A2TP53TSHRRXRA
Aminobenzoic Acid SCHEMBL5874326 0.83 TSHR (0.63) SRD5A2CYP1A2TP53TSHRRXRA
Terephthalic Acid SCHEMBL7648718 0.82 TSHR (0.71) SRD5A2MEN1KMT2ATP53TSHR
Terephthalic Acid SCHEMBL9717815 0.82 TSHR (0.71) SRD5A2MEN1KMT2ATP53TSHR
Aminobenzoic Acid SCHEMBL8249 0.82 TSHR (0.71) SRD5A2MEN1KMT2ATP53TSHR
Aminobenzoic Acid SCHEMBL1768920 0.82 TSHR (0.71) SRD5A2MEN1KMT2ATP53TSHR
Bisphenol A SCHEMBL1683933 0.82 ESR1 (0.55) SRD5A2RARBRARGMEN1CYP1A2
Aminobenzoic Acid SCHEMBL28176703 0.81 TSHR (0.60) SRD5A2CYP1A2TP53TSHRRXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210062251-A1 ENHANCEMENT OF NUCLEIC ACID POLYMERIZATION BY AROMATIC COMPOUNDS Roche Sequencing Solutions, Inc. 2021-03-04 — — 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-20210062251-A1 ENHANCEMENT OF NUCLEIC ACID POLYMERIZATION BY AROMATIC COMPOUNDS POLN, POLB, POLRMT SRD5A2 3901/4885RARB 1842/4885RARG 2285/4885

“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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