SCHEMBL518238

SCHEMBL518238

C[C@]12CCCNC1CC[C@@H]1[C@H]2CC[C@]2(C)C(C(=O)O)CC[C@@H]12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 3/20 0.46
AR P10275 1/20 0.44
SRD5A1 P18405 1/20 0.44
GABRP O00591 2/20 0.42
GABRD O14764 2/20 0.42
G6PD P11413 2/20 0.42
GABRA1 P14867 2/20 0.42
GABRB1 P18505 2/20 0.42
GABRG2 P18507 2/20 0.42
GABRB3 P28472 2/20 0.42
GABRA5 P31644 2/20 0.42
GABRA3 P34903 2/20 0.42
GABRA2 P47869 2/20 0.42
GABRB2 P47870 2/20 0.42
GABRA4 P48169 2/20 0.42
GABRE P78334 2/20 0.42
GABRA6 Q16445 2/20 0.42
GABRG1 Q8N1C3 2/20 0.42
GABRG3 Q99928 2/20 0.42
GABRQ Q9UN88 2/20 0.42

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
SCHEMBL518237 1.00 SRD5A2 (0.46) SRD5A2ARSRD5A1GABRPGABRD
SCHEMBL8380414 0.88 SRD5A2 (0.45) SRD5A2GABRPGABRDG6PDGABRA1
SCHEMBL8014771 0.88 SRD5A2 (0.45) SRD5A2GABRPGABRDG6PDGABRA1
SCHEMBL9665439 0.80 SRD5A2 (0.51) SRD5A2ARSRD5A1LMNABLM
SCHEMBL9665450 0.80 SRD5A2 (0.51) SRD5A2ARSRD5A1LMNABLM
SCHEMBL9853139 0.79 SRD5A2 (0.40) SRD5A2ARSRD5A1
SCHEMBL3869928 0.78 SRD5A1 (0.38) SRD5A2SRD5A1KMT2A
SCHEMBL3869935 0.78 SRD5A1 (0.38) SRD5A2SRD5A1KMT2A
SCHEMBL15121547 0.78 SRD5A1 (0.38) SRD5A2SRD5A1KMT2A
SCHEMBL13844000 0.77 SRD5A2 (0.73) SRD5A2ARSRD5A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2414378-B1 SEPARATION OF 4-AZA-ANDROST-1-ENE-17-OIC ACID FROM 4-AZA-ANDROSTAN-17-OIC ACID PHF SA (CH) 2014-03-05 EP claimed
US-8664395-B2 Purification 4-aza-androst-1-ene-17-oic acid from 4-aza-androstan-17-oic acid PHF S.A. (CH) 2014-03-04 US claimed
EP-2414378-A1 PURIFICATION 4-AZA-ANDROST-1-ENE-17-OIC ACID FROM 4-AZA-ANDROSTAN-17-OIC ACID PHF SA (CH) 2012-02-08 EP claimed
US-20120029196-A1 PURIFICATION 4-AZA-ANDROST-1-ENE-17-OIC ACID FROM 4-AZA-ANDROSTAN-17-OIC ACID PHF S.A. (CH) 2012-02-02 US claimed
WO-2010112079-A1 PURIFICATION 4-AZA-ANDROST-1-ENE-17-OIC ACID FROM 4-AZA-ANDROSTAN-17-OIC ACID PHF S.A. (CH) 2010-10-07 WO claimed
EP-2414378-B1 SEPARATION OF 4-AZA-ANDROST-1-ENE-17-OIC ACID FROM 4-AZA-ANDROSTAN-17-OIC ACID PHF SA (CH) 2014-03-05 EP disclosed
US-8664395-B2 Purification 4-aza-androst-1-ene-17-oic acid from 4-aza-androstan-17-oic acid PHF S.A. (CH) 2014-03-04 US disclosed
US-8664395-B2 Purification 4-aza-androst-1-ene-17-oic acid from 4-aza-androstan-17-oic acid PHF S.A. (CH) 2014-03-04 US disclosed
US-8664395-B2 Purification 4-aza-androst-1-ene-17-oic acid from 4-aza-androstan-17-oic acid PHF S.A. (CH) 2014-03-04 US disclosed
EP-2414378-A1 PURIFICATION 4-AZA-ANDROST-1-ENE-17-OIC ACID FROM 4-AZA-ANDROSTAN-17-OIC ACID PHF SA (CH) 2012-02-08 EP disclosed
EP-2414378-A1 PURIFICATION 4-AZA-ANDROST-1-ENE-17-OIC ACID FROM 4-AZA-ANDROSTAN-17-OIC ACID PHF SA (CH) 2012-02-08 EP disclosed
US-20120029196-A1 PURIFICATION 4-AZA-ANDROST-1-ENE-17-OIC ACID FROM 4-AZA-ANDROSTAN-17-OIC ACID PHF S.A. (CH) 2012-02-02 US disclosed
US-20120029196-A1 PURIFICATION 4-AZA-ANDROST-1-ENE-17-OIC ACID FROM 4-AZA-ANDROSTAN-17-OIC ACID PHF S.A. (CH) 2012-02-02 US disclosed
WO-2010112079-A1 PURIFICATION 4-AZA-ANDROST-1-ENE-17-OIC ACID FROM 4-AZA-ANDROSTAN-17-OIC ACID PHF S.A. (CH) 2010-10-07 WO disclosed
WO-2010112079-A1 PURIFICATION 4-AZA-ANDROST-1-ENE-17-OIC ACID FROM 4-AZA-ANDROSTAN-17-OIC ACID PHF S.A. (CH) 2010-10-07 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 (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-20120029196-A1 PURIFICATION 4-AZA-ANDROST-1-ENE-17-OIC ACID FROM 4-AZA-ANDROSTAN-17-OIC ACID NR5A1, SRD5A2, CYP19A1 SRD5A2 2/4885AR 19/4885SRD5A1 4/4885

“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.