SCHEMBL19768614

SCHEMBL19768614

CC1C[C@@H]2CC[C@H]3CC(=O)O[C@]32C1

nearest known ligand 0.31

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.31
USP2 O75604 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
TSHR P16473 1/20 0.30
CYP2C19 P33261 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ACHE P22303 1/20 0.30

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
SCHEMBL17972845 1.00 ALDH1A1 (0.31) ALDH1A1USP2LMNAMAPTHSD17B10
SCHEMBL17964324 1.00 ALDH1A1 (0.31) ALDH1A1USP2LMNAMAPTHSD17B10
SCHEMBL19768582 0.93 TSHR (0.33) ALDH1A1LMNACYP3A4CYP2C9TSHR
SCHEMBL21540727 0.93 TSHR (0.32) ALDH1A1LMNACYP3A4CYP2C9TSHR
SCHEMBL19768588 0.93 TSHR (0.32) ALDH1A1LMNACYP3A4CYP2C9TSHR
SCHEMBL17964260 0.93 TSHR (0.32) ALDH1A1LMNACYP3A4CYP2C9TSHR
SCHEMBL17964315 0.84 ALDH1A1 (0.33) ALDH1A1USP2LMNAMAPTHSD17B10
SCHEMBL17972608 0.84 ALDH1A1 (0.33) ALDH1A1USP2LMNAMAPTHSD17B10
SCHEMBL17964310 0.71 ALDH1A1 (0.36) ALDH1A1USP2LMNAMAPTHSD17B10
SCHEMBL19768601 0.71 ALDH1A1 (0.36) ALDH1A1USP2LMNAMAPTHSD17B10

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-20180016221-A1 SPIROFURANONE COMPOUNDS, DERIVATIVES THEREOF AND PROCESSES FOR THEIR PREPARATION YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2018-01-18 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-20180016221-A1 SPIROFURANONE COMPOUNDS, DERIVATIVES THEREOF AND PROCESSES FOR THEIR PREPARATION PKD1, PKD2, DHPS ALDH1A1 532/4885USP2 4881/4885LMNA 427/4885

“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.