SCHEMBL31536076

SCHEMBL31536076

CC1(C)CCC[C@]2(C)[C@@H]1CC[C@@]1(C)Oc3ccc(O)cc3C[C@@H]21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ENTPD5 O75356 2/20 1.00
PTPN1 P18031 5/20 0.72
HIF1A Q16665 2/20 0.72
EPAS1 Q99814 2/20 0.72
ALDH1A1 P00352 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
TSHR P16473 1/20 0.54
CYP2C19 P33261 1/20 0.54
CETP P11597 1/20 0.51
ALOX15 P16050 1/20 0.44
ALOX12 P18054 1/20 0.44
CTSB P07858 1/20 0.41
LTB4R Q15722 1/20 0.41
RPS6KA5 O75582 1/20 0.39
MAPKAPK2 P49137 1/20 0.39
PIK3CB P42338 1/20 0.39
TRPV1 Q8NER1 1/20 0.38
IDO1 P14902 1/20 0.37

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
SCHEMBL30628881 1.00 ENTPD5 (1.00) ENTPD5PTPN1HIF1AEPAS1ALDH1A1
Strongylophorine-24 SCHEMBL31571162 0.86 ENTPD5 (0.76) ENTPD5PTPN1HIF1AEPAS1ALDH1A1
SCHEMBL31536062 0.85 ENTPD5 (0.74) ENTPD5PTPN1HIF1AEPAS1ALDH1A1
SCHEMBL26760685 0.79 ENTPD5 (0.65) ENTPD5PTPN1HIF1AEPAS1ALDH1A1
SCHEMBL12234034 0.78 ENTPD5 (0.63) ENTPD5PTPN1HIF1AEPAS1ALDH1A1
SCHEMBL12234033 0.78 ENTPD5 (0.63) ENTPD5PTPN1HIF1AEPAS1ALDH1A1
SCHEMBL12234042 0.78 ENTPD5 (0.63) ENTPD5PTPN1HIF1AEPAS1ALDH1A1
SCHEMBL12234038 0.78 ENTPD5 (0.63) ENTPD5PTPN1HIF1AEPAS1ALDH1A1
SCHEMBL6785183 0.76 ENTPD5 (0.61) ENTPD5PTPN1HIF1AEPAS1ALDH1A1
SCHEMBL6786875 0.76 ENTPD5 (0.61) ENTPD5PTPN1HIF1AEPAS1ALDH1A1

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-20250122146-A1 COMPOUNDS FOR REDUCING NEUROINFLAMMATION THE SCRIPPS RESEARCH INSTITUTE 2025-04-17 US claimed
US-20250122146-A1 COMPOUNDS FOR REDUCING NEUROINFLAMMATION THE SCRIPPS RESEARCH INSTITUTE 2025-04-17 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-20250122146-A1 COMPOUNDS FOR REDUCING NEUROINFLAMMATION HSF1, HSPA2, KEAP1 ENTPD5 4851/4885PTPN1 3982/4885HIF1A 219/4885

“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.