SCHEMBL17628513

SCHEMBL17628513

CC1CCC2C(C)(C)C3CC12CC(O)C3(C)O

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 2/20 0.57
▸ ALDH1A1 P00352 1/20 0.57
▸ LMNA P02545 1/20 0.57
▸ THRB P10828 1/20 0.57
▸ MAPK1 P28482 1/20 0.57
▸ CYP17A1 P05093 3/20 0.35
▸ CYP19A1 P11511 3/20 0.35

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
SCHEMBL18776604 1.00 ALOX15 (0.57) ALOX15ALDH1A1LMNATHRBMAPK1
SCHEMBL10086041 1.00 ALOX15 (0.57) ALOX15ALDH1A1LMNATHRBMAPK1
SCHEMBL18776602 1.00 ALOX15 (0.57) ALOX15ALDH1A1LMNATHRBMAPK1
SCHEMBL22892039 1.00 ALOX15 (0.57) ALOX15ALDH1A1LMNATHRBMAPK1
SCHEMBL24245791 1.00 ALOX15 (0.57) ALOX15ALDH1A1LMNATHRBMAPK1
SCHEMBL18776606 1.00 ALOX15 (0.57) ALOX15ALDH1A1LMNATHRBMAPK1
SCHEMBL24245770 1.00 ALOX15 (0.57) ALOX15ALDH1A1LMNATHRBMAPK1
SCHEMBL24245779 1.00 ALOX15 (0.57) ALOX15ALDH1A1LMNATHRBMAPK1
SCHEMBL22892066 1.00 ALOX15 (0.57) ALOX15ALDH1A1LMNATHRBMAPK1
SCHEMBL25812802 1.00 ALOX15 (0.57) ALOX15ALDH1A1LMNATHRBMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9644171-B2 Cyclic acetals and ketals and use thereof as fragrance SYMRISE AG (DE) 2017-05-09 — — US claimed
EP-2803666-B1 Cyclic acetals and ketals and their use as fragrance compounds SYMRISE AG (DE) 2016-04-27 — — EP claimed
US-20160090548-A1 Cyclic Acetals and Ketals and Use Thereof as Fragrance SYMRISE AG (DE) 2016-03-31 — — US claimed
US-9644171-B2 Cyclic acetals and ketals and use thereof as fragrance SYMRISE AG (DE) 2017-05-09 — — US disclosed
US-20160090548-A1 Cyclic Acetals and Ketals and Use Thereof as Fragrance SYMRISE AG (DE) 2016-03-31 — — 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-20160090548-A1 Cyclic Acetals and Ketals and Use Thereof as Fragrance KLK5, KCNK5, KLK1 ALOX15 3019/4885ALDH1A1 253/4885LMNA 2750/4885

“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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