SCHEMBL18219781

SCHEMBL18219781

CC(C)(C)C(=O)NCc1ccccc1O

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
HIF1A Q16665 2/20 0.52
CYP2D6 P10635 1/20 0.52
RIPK1 Q13546 2/20 0.50
CA2 P00918 7/20 0.48
CA12 O43570 6/20 0.48
CA1 P00915 1/20 0.47
CA7 P43166 1/20 0.47
CA14 Q9ULX7 1/20 0.47
CA9 Q16790 5/20 0.47
POLB P06746 1/20 0.46
KDM4E B2RXH2 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPT P10636 2/20 0.46
AKR1B1 P15121 1/20 0.46
ANO1 Q5XXA6 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
MPO P05164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL20418994 0.85 RIPK1 (0.70) TSHRHIF1ACYP2D6RIPK1CA2
SCHEMBL15471188 0.82 ALDH1A1 (0.60) RIPK1CA2POLBKDM4EMAPT
SCHEMBL8061739 0.82 TSHR (0.52) TSHRHIF1ACYP2D6RIPK1CA2
SCHEMBL12205752 0.81 RIPK1 (0.43) TSHRHIF1ACYP2D6RIPK1CA2
SCHEMBL19318518 0.81 HPGD (0.53) CYP2D6RIPK1CA2CA1CA7
SCHEMBL13726222 0.81 RIPK1 (0.74) TSHRRIPK1MAPTSMN1; SMN2
SCHEMBL8985034 0.80 POLB (0.65) TSHRPOLBHSD17B10MAPTAKR1B1
SCHEMBL4362706 0.79 TSHR (0.57) TSHRHIF1ACYP2D6CA2CA12
SCHEMBL14782975 0.79 HTT (0.53) TSHRHIF1ARIPK1CA12CA9
SCHEMBL13911836 0.79 RIPK1 (0.42) TSHRHIF1ACYP2D6RIPK1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11702401-B2 Compounds and methods of use MEDIVATION TECHNOLOGIES LLC (US) 2023-07-18 US disclosed
US-11702401-B2 Compounds and methods of use MEDIVATION TECHNOLOGIES LLC (US) 2023-07-18 US disclosed
US-20220000847-A1 Compounds and Methods of Use MEDIVATION TECHNOLOGIES LLC (US) 2022-01-06 US disclosed
US-11053216-B2 Compounds and methods of use MEDIVATION TECHNOLOGIES LLC (US) 2021-07-06 US disclosed
US-20200071296-A1 Compounds and Methods of Use MEDIVATION TECHNOLOGIES LLC 2020-03-05 US disclosed
US-20180208577-A1 Compounds and Methods of Use MEDIVATION TECHNOLOGIES LLC 2018-07-26 US disclosed
US-10030004-B2 Compounds and methods of use MEDIVATION TECHNOLOGIES LLC (US) 2018-07-24 US disclosed
US-10030004-B2 Compounds and methods of use MEDIVATION TECHNOLOGIES LLC (US) 2018-07-24 US disclosed
US-20160326137-A1 Compounds and Methods of Use MEDIVATION TECHNOLOGIES LLC 2016-11-10 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 (7 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-20220000847-A1 Compounds and Methods of Use TGFB2, TGFB1, HDGF TSHR 3502/4885HIF1A 751/4885CYP2D6 4782/4885
US-11702401-B2 Compounds and methods of use TGFB2, TGFB1, HDGF TSHR 3502/4885HIF1A 751/4885CYP2D6 4782/4885
US-10030004-B2 Compounds and methods of use TGFB2, TGFB1, HDGF TSHR 3502/4885HIF1A 751/4885CYP2D6 4782/4885
US-20160326137-A1 Compounds and Methods of Use TGFB2, TGFB1, HDGF TSHR 3502/4885HIF1A 751/4885CYP2D6 4782/4885
US-20200071296-A1 Compounds and Methods of Use TGFB2, TGFB1, HDGF TSHR 3502/4885HIF1A 751/4885CYP2D6 4782/4885
US-11053216-B2 Compounds and methods of use TGFB2, TGFB1, HDGF TSHR 3502/4885HIF1A 751/4885CYP2D6 4782/4885
US-20180208577-A1 Compounds and Methods of Use TGFB2, TGFB1, HDGF TSHR 3502/4885HIF1A 751/4885CYP2D6 4782/4885

“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.