SCHEMBL20154502

SCHEMBL20154502

CC1(C)CCC[C@]2(C)[C@@H]3CCO[C@H]3CC[C@@H]12

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ IDO1 P14902 1/20 0.34
▸ CYP19A1 P11511 2/20 0.33
▸ ENTPD5 O75356 1/20 0.32
▸ PTPN2 P17706 1/20 0.32
▸ UGT2B7 P16662 4/20 0.32
▸ NR1H4 Q96RI1 1/20 0.32
▸ TRPA1 O75762 1/20 0.32
▸ CHRNB2 P17787 2/20 0.31
▸ CHRNB4 P30926 2/20 0.31
▸ CHRNA3 P32297 2/20 0.31
▸ CHRNA7 P36544 2/20 0.31
▸ CHRNA4 P43681 2/20 0.31
▸ TRPV1 Q8NER1 1/20 0.31

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
SCHEMBL759448 1.00 PTPN1 (0.41) PTPN1ALDH1A1CYP3A4CYP2C9TSHR
SCHEMBL9289567 1.00 PTPN1 (0.41) PTPN1ALDH1A1CYP3A4CYP2C9TSHR
SCHEMBL16984793 0.91 PTPN1 (0.40) PTPN1ALDH1A1CYP3A4CYP2C9TSHR
SCHEMBL16984862 0.91 PTPN1 (0.40) PTPN1ALDH1A1CYP3A4CYP2C9TSHR
SCHEMBL16984747 0.91 PTPN1 (0.40) PTPN1ALDH1A1CYP3A4CYP2C9TSHR
SCHEMBL19849758 0.90 PTPN1 (0.39) PTPN1ALDH1A1CYP3A4CYP2C9TSHR
SCHEMBL6681167 0.77 — —
SCHEMBL23789999 0.72 ALDH1A1 (0.38) PTPN1ALDH1A1CYP3A4CYP2C9TSHR
SCHEMBL19844090 0.71 CYP19A1 (0.39) PTPN1ALDH1A1CYP3A4CYP2C9TSHR
SCHEMBL3222541 0.71 ALDH1A1 (0.37) PTPN1ALDH1A1CYP3A4CYP2C9TSHR

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-10294211-B2 Process for isolating and purifying ambrox GIVAUDAN S.A. (CH) 2019-05-21 — — US disclosed
US-20180134678-A1 PROCESS FOR ISOLATING AND PURIFYING AMBROX GIVAUDAN SA (CH) 2018-05-17 — — US disclosed
US-9248187-B2 Oxadiazole inhibitors of leukotriene production for combination therapy BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-02-02 — — 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-10294211-B2 Process for isolating and purifying ambrox BTD, TPO, MMP13 PTPN1 4339/4885ALDH1A1 1847/4885CYP3A4 135/4885
US-20180134678-A1 PROCESS FOR ISOLATING AND PURIFYING AMBROX BTD, TPO, MMP13 PTPN1 4339/4885ALDH1A1 1847/4885CYP3A4 135/4885

“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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