SCHEMBL18148486

SCHEMBL18148486

COC(=O)c1ccc2c(c1)C[C@]1(CCNC1=O)CC2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 6/20 0.41
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HDAC6 Q9UBN7 2/20 0.38
SRD5A1 P18405 1/20 0.37
SRD5A2 P31213 1/20 0.37
TRPA1 O75762 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
XDH P47989 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
HSD17B10 Q99714 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
FGB P02675 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36

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
SCHEMBL18159342 1.00 CRBN (0.41) CRBNALDH1A1LMNAHDAC6SRD5A1
SCHEMBL18148370 1.00 CRBN (0.41) CRBNALDH1A1LMNAHDAC6SRD5A1
SCHEMBL18144771 0.95 CRBN (0.41) CRBNALDH1A1LMNASRD5A1SRD5A2
SCHEMBL18145089 0.95 CRBN (0.41) CRBNALDH1A1LMNASRD5A1SRD5A2
SCHEMBL2767626 0.95 CRBN (0.41) CRBNALDH1A1LMNASRD5A1SRD5A2
SCHEMBL21123543 0.91 CRBN (0.41) CRBNALDH1A1LMNASRD5A1SRD5A2
SCHEMBL21123776 0.91 CRBN (0.41) CRBNALDH1A1LMNASRD5A1SRD5A2
SCHEMBL21084102 0.91 CRBN (0.41) CRBNALDH1A1LMNASRD5A1SRD5A2
SCHEMBL18165465 0.88 CRBN (0.39) CRBNALDH1A1LMNASRD5A1SRD5A2
SCHEMBL18144797 0.88 CRBN (0.39) CRBNALDH1A1LMNASRD5A1SRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9637453-B2 3-spirocyclic-6-hydroxamic acid tetralins as HDAC inhibitors FORMA THERAPEUTICS, INC. (US) 2017-05-02 US disclosed
US-9637453-B2 3-spirocyclic-6-hydroxamic acid tetralins as HDAC inhibitors FORMA THERAPEUTICS, INC. (US) 2017-05-02 US disclosed
US-9637453-B2 3-spirocyclic-6-hydroxamic acid tetralins as HDAC inhibitors FORMA THERAPEUTICS, INC. (US) 2017-05-02 US disclosed
WO-2016168598-A1 3-SPIROCYCLIC-6-HYDROXAMIC ACID TETRALINS AS HDAC INHIBITORS FORMA THERAPEUTICS, INC. (US) 2016-10-20 WO disclosed
WO-2016168598-A1 3-SPIROCYCLIC-6-HYDROXAMIC ACID TETRALINS AS HDAC INHIBITORS FORMA THERAPEUTICS, INC. (US) 2016-10-20 WO disclosed
US-20160304456-A1 3-SPIROCYCLIC-6-HYDROXAMIC ACID TETRALINS AS HDAC INHIBITORS VALO HEALTH, INC. 2016-10-20 US disclosed
US-20160304456-A1 3-SPIROCYCLIC-6-HYDROXAMIC ACID TETRALINS AS HDAC INHIBITORS VALO HEALTH, INC. 2016-10-20 US disclosed
US-20160304456-A1 3-SPIROCYCLIC-6-HYDROXAMIC ACID TETRALINS AS HDAC INHIBITORS VALO HEALTH, INC. 2016-10-20 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-20160304456-A1 3-SPIROCYCLIC-6-HYDROXAMIC ACID TETRALINS AS HDAC INHIBITORS HDAC1, HDAC11, HDAC6 CRBN 1274/4885ALDH1A1 317/4885LMNA 4419/4885

“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.