SCHEMBL26328248

SCHEMBL26328248

CCOC(=O)[C@]1(C(F)(F)F)C[C@H]1c1ccc(C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
GAA P10253 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39
TUBB3 Q13509 1/20 0.39
TUBB2A Q13885 1/20 0.39
TUBB8 Q3ZCM7 1/20 0.39
TUBA3E Q6PEY2 1/20 0.39
TUBA1A Q71U36 1/20 0.39
TUBA1C Q9BQE3 1/20 0.39
TUBB6 Q9BUF5 1/20 0.39
TUBB2B Q9BVA1 1/20 0.39
TUBB1 Q9H4B7 1/20 0.39

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
SCHEMBL26328246 1.00 SMN1; SMN2 (0.41) SMN1; SMN2GAANPC1RAB9AL3MBTL1
SCHEMBL30594057 0.90 OPRM1 (0.42) SMN1; SMN2GAAOPRM1RORCNR1I2
SCHEMBL19403665 0.90 OPRM1 (0.42) SMN1; SMN2GAAOPRM1RORCNR1I2
SCHEMBL19385837 0.89 KDM1A (0.47) SMN1; SMN2GAARORCNR1I2ALDH1A1
SCHEMBL19403866 0.89 KDM1A (0.47) SMN1; SMN2GAARORCNR1I2ALDH1A1
SCHEMBL19403865 0.89 KDM1A (0.47) SMN1; SMN2GAARORCNR1I2ALDH1A1
SCHEMBL24529188 0.88 GAA (0.46) SMN1; SMN2GAANPC1RAB9AALDH1A1
SCHEMBL22781292 0.81 KDM1A (0.39) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL26328251 0.81 KDM1A (0.39) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL23550006 0.81 KDM1A (0.39) SMN1; SMN2NPC1RAB9AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11766433-B2 Small molecule inhibitors of the nuclear translocation of androgen receptor for the treatment of castration-resistant prostate cancer UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2023-09-26 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-11766433-B2 Small molecule inhibitors of the nuclear translocation of androgen receptor for the treatment of castration-resistant prostate cancer AR, NR0B1, NCOA3 SMN1; SMN2 4767/4885GAA 4870/4885NPC1 852/4885

“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.