SCHEMBL4530231

SCHEMBL4530231

CC(C)CCCCNC(=O)C(F)(F)F

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.69
SMN1; SMN2 Q16637 2/20 0.69
POLB P06746 1/20 0.69
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
EPHX1 P07099 3/20 0.61
CA3 P07451 2/20 0.60
CA5A P35218 2/20 0.60
CA5B Q9Y2D0 2/20 0.60
CA14 Q9ULX7 2/20 0.60
CA12 O43570 1/20 0.60
CA2 P00918 1/20 0.60
CA4 P22748 1/20 0.60
CA6 P23280 1/20 0.60
CA7 P43166 1/20 0.60
CA9 Q16790 1/20 0.60
GLA P06280 1/20 0.39
HPGD P15428 1/20 0.39
ALOX12 P18054 1/20 0.39
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL19769248 0.98 MEN1 (0.70) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL20087451 0.94 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL5486728 0.86 SMN1; SMN2 (0.58) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL16574793 0.84 SMN1; SMN2 (0.62) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL21597899 0.84 SMN1; SMN2 (0.62) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL27889238 0.83 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL23770334 0.82 POLB (0.46) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL25862688 0.82 MEN1 (0.48) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL29982917 0.81 MEN1 (1.00) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL24246070 0.81 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2POLBMEN1KMT2A

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-20240218021-A1 CYCLIN INHIBITORS CIRCLE PHARMA, INC. 2024-07-04 US disclosed
WO-2024086814-A2 CYCLIN INHIBITORS CIRCLE PHARMA, INC. (US) 2024-04-25 WO disclosed
US-20090326003-A1 PYRAZOLO (3, 4-B) PYRIDINE DERIVATIVES AS PDE4 INHIBITORS GLAXO GROUP LIMITED (GB) 2009-12-31 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-20090326003-A1 PYRAZOLO (3, 4-B) PYRIDINE DERIVATIVES AS PDE4 INHIBITORS PDE4A, PDE4B, PDE12 ALDH1A1 692/4885SMN1; SMN2 4192/4885POLB 1213/4885
US-20240218021-A1 CYCLIN INHIBITORS CCNI, CCNC, CDK2 ALDH1A1 2597/4885SMN1; SMN2 2812/4885POLB 115/4885

“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.