SCHEMBL6575143

SCHEMBL6575143

C[C@]12CC[C@H]3[C@@H](CCC4=CC(O)CC[C@@H]43)[C@@H]1CC[C@@H]2O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SHBG P04278 5/20 0.65
▸ SERPINA6 P08185 3/20 0.65
▸ SLC22A1 O15245 2/20 0.65
▸ ALDH1A1 P00352 2/20 0.65
▸ THRB P10828 1/20 0.65
▸ PDK1 Q15118 2/20 0.62
▸ PDK2 Q15119 2/20 0.62
▸ PDK3 Q15120 2/20 0.62
▸ PDK4 Q16654 2/20 0.62
▸ ESR1 P03372 6/20 0.62
▸ ESR2 Q92731 5/20 0.62
▸ LMNA P02545 4/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ MAPT P10636 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ GAA P10253 2/20 0.47
▸ G6PD P11413 2/20 0.47
▸ PKM P14618 2/20 0.47
▸ MAPK1 P28482 2/20 0.47

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
SCHEMBL21807739 1.00 SHBG (0.65) SHBGSERPINA6SLC22A1ALDH1A1THRB
SCHEMBL4925553 1.00 SHBG (0.65) SHBGSERPINA6SLC22A1ALDH1A1THRB
SCHEMBL3181285 1.00 SHBG (0.65) SHBGSERPINA6SLC22A1ALDH1A1THRB
SCHEMBL6655376 1.00 SHBG (0.65) SHBGSERPINA6SLC22A1ALDH1A1THRB
SCHEMBL6448963 1.00 SHBG (0.65) SHBGSERPINA6SLC22A1ALDH1A1THRB
SCHEMBL6575174 1.00 SHBG (0.65) SHBGSERPINA6SLC22A1ALDH1A1THRB
SCHEMBL6573913 1.00 SHBG (0.65) SHBGSERPINA6SLC22A1ALDH1A1THRB
SCHEMBL547771 1.00 SHBG (0.65) SHBGSERPINA6SLC22A1ALDH1A1THRB
Propionic Acid SCHEMBL634971 0.91 PDK1 (0.60) SHBGSERPINA6SLC22A1ALDH1A1THRB
SCHEMBL4321179 0.87 SHBG (0.50) SHBGSERPINA6SLC22A1ALDH1A1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022257895-A1 INTERMEDIATE FOR PREPARING FULVESTRANT AND PREPARATION METHOD THEREFOR 上海弼领生物技术有限公司 2022-12-15 — — WO disclosed
US-10023606-B2 19-nor neuroactive steroids and methods of use thereof SAGE THERAPEUTICS, INC. (US) 2018-07-17 — — US disclosed
US-20170233432-A1 19-NOR NEUROACTIVE STEROIDS AND METHODS OF USE THEREOF SAGE THERAPEUTICS, INC. 2017-08-17 — — US disclosed
WO-2003002058-A9 BONE ANABOLIC COMPOUNDS AND METHODS OF USE ANABONIX INC (US) 2004-07-08 — — WO disclosed
EP-1404344-A2 BONE ANABOLIC COMPOUNDS AND METHODS OF USE Anabonix, Inc. (US) 2004-04-07 — — EP disclosed
WO-2003002058-A2 BONE ANABOLIC COMPOUNDS AND METHODS OF USE ANABONIX, INC. (US) 2003-01-09 — — WO 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-10023606-B2 19-nor neuroactive steroids and methods of use thereof NR3C2, HSD3B1, HSD3B2 SHBG 126/4885SERPINA6 407/4885SLC22A1 549/4885
US-20170233432-A1 19-NOR NEUROACTIVE STEROIDS AND METHODS OF USE THEREOF NR3C2, HSD3B1, HSD3B2 SHBG 126/4885SERPINA6 407/4885SLC22A1 549/4885

“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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