SCHEMBL25933146

SCHEMBL25933146

CC(C)(C)C(=O)CC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
BPTF Q12830 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
HSD11B1 P28845 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
EPHX2 P34913 1/20 0.44
GAA P10253 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TSHR P16473 1/20 0.42
P2RX7 Q99572 2/20 0.42
GLA P06280 1/20 0.41
KMT2A Q03164 1/20 0.41
EPHX1 P07099 1/20 0.41

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
SCHEMBL16722815 0.88 GAA (0.58) ALDH1A1GAAHSD17B10TSHRKMT2A
SCHEMBL11248938 0.80 ALDH1A1 (0.47) ALDH1A1BPTFSMN1; SMN2HSD11B1NPSR1
SCHEMBL13660316 0.79 ALDH1A1 (0.50) ALDH1A1BPTFSMN1; SMN2HSD11B1TSHR
SCHEMBL12321006 0.77 ALDH1A1 (0.45) ALDH1A1BPTFSMN1; SMN2HSD11B1NPSR1
SCHEMBL1072911 0.76 ALDH1A1 (0.61) ALDH1A1BPTFSMN1; SMN2HSD11B1NPSR1
SCHEMBL18751696 0.75 KMT2A (0.35) GAAKMT2A
SCHEMBL3021927 0.75 ALDH1A1 (0.59) ALDH1A1BPTFSMN1; SMN2HSD11B1NPSR1
SCHEMBL134689 0.75 ALDH1A1 (0.50) ALDH1A1BPTFSMN1; SMN2HSD11B1NPSR1
SCHEMBL3454752 0.75 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2NPSR1EPHX2P2RX7
Adamantaneacetic Acid SCHEMBL24688608 0.73 ALDH1A1 (0.62) ALDH1A1BPTFSMN1; SMN2HSD11B1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230303539-A1 IMMUNOREGULATORY COMPOUND AND ANTITUMOR APPLICATION THEREOF SHANGHAITECH UNIVERSITY (CN) 2023-09-28 US disclosed
US-20230248833-A1 COMPOUND HAVING BTK KINASE DEGRADING ACTIVITY, AND PREPARATION METHOD AND PHARMACEUTICAL USE THEREFOR XIZANG HAISCO PHARMACEUTICAL CO., LTD. (CN) 2023-08-10 US disclosed
US-20230248833-A1 COMPOUND HAVING BTK KINASE DEGRADING ACTIVITY, AND PREPARATION METHOD AND PHARMACEUTICAL USE THEREFOR XIZANG HAISCO PHARMACEUTICAL CO., LTD. (CN) 2023-08-10 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 (2 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-20230303539-A1 IMMUNOREGULATORY COMPOUND AND ANTITUMOR APPLICATION THEREOF TNF, NFATC1, IL2 ALDH1A1 702/4885BPTF 1711/4885SMN1; SMN2 3725/4885
US-20230248833-A1 COMPOUND HAVING BTK KINASE DEGRADING ACTIVITY, AND PREPARATION METHOD AND PHARMACEUTICAL USE THEREFOR BTK, WEE1, WEE2 ALDH1A1 3737/4885BPTF 2443/4885SMN1; SMN2 4812/4885

“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.