SCHEMBL17538280

SCHEMBL17538280

CC1CC=C2C[C@@H](S)CC[C@]2(C)C1C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SHBG P04278 3/20 0.33
▸ SERPINA6 P08185 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ PMP22 Q01453 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ G6PD P11413 2/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ AR P10275 1/20 0.33
▸ ESR2 Q92731 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ GUSB P08236 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ GPBAR1 Q8TDU6 1/20 0.33
▸ CYP19A1 P11511 2/20 0.32
▸ CYP17A1 P05093 8/20 0.32
▸ BLM P54132 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ TBXAS1 P24557 1/20 0.31
▸ SRD5A2 P31213 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
SCHEMBL14037447 0.81 SHBG (0.35) SHBGSERPINA6LMNAPMP22TSHR
SCHEMBL13347892 0.81 SHBG (0.50) SHBGSERPINA6LMNAPMP22TSHR
SCHEMBL17013828 0.81 SHBG (0.50) SHBGSERPINA6LMNAPMP22TSHR
SCHEMBL23566077 0.81 SHBG (0.50) SHBGSERPINA6LMNAPMP22TSHR
SCHEMBL12945628 0.81 CYP17A1 (0.33) SHBGSERPINA6LMNAPMP22TSHR
SCHEMBL23563323 0.81 SHBG (0.50) SHBGSERPINA6LMNAPMP22TSHR
SCHEMBL13175773 0.81 CYP1B1 (0.33) SHBGSERPINA6LMNAPMP22TSHR
SCHEMBL12945631 0.81 SHBG (0.35) SHBGSERPINA6LMNAPMP22TSHR
SCHEMBL12945634 0.81 SHBG (0.32) SHBGSERPINA6LMNAPMP22TSHR
SCHEMBL13319746 0.81 L3MBTL1 (0.48) SHBGSERPINA6LMNAPMP22TSHR

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-20170266181-A1 NONSTEROIDAL AND STEROIDAL COMPOUNDS WITH POTENT ANDROGEN RECEPTOR DOWN-REGULATION AND ANTI PROSTATE CANCER ACTIVITY UNIVERSITY OF MARYLAND, BALTIMORE (US) 2017-09-21 — — US disclosed
US-9694005-B2 Nonsteroidal and steroidal compounds with potent androgen receptor down-regulation and anti prostate cancer activity UNIVERSITY OF MARYLAND, BALTIMORE (US) 2017-07-04 — — US disclosed
US-20160038476-A1 NONSTEROIDAL AND STEROIDAL COMPOUNDS WITH POTENT ANDROGEN RECEPTOR DOWN-REGULATION AND ANTI PROSTATE CANCER ACTIVITY UNIVERSITY OF MARYLAND, BALTIMORE (US) 2016-02-11 — — 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-20160038476-A1 NONSTEROIDAL AND STEROIDAL COMPOUNDS WITH POTENT ANDROGEN RECEPTOR DOWN-REGULATION AND ANTI PROSTATE CANCER ACTIVITY AR, NR5A1, BRCA1 SHBG 18/4885SERPINA6 450/4885LMNA 674/4885
US-20170266181-A1 NONSTEROIDAL AND STEROIDAL COMPOUNDS WITH POTENT ANDROGEN RECEPTOR DOWN-REGULATION AND ANTI PROSTATE CANCER ACTIVITY AR, NR5A1, BRCA1 SHBG 18/4885SERPINA6 450/4885LMNA 674/4885

“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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