SCHEMBL11996604

SCHEMBL11996604

CC(C)C(=O)c1ccccc1-c1ccc(F)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 3/20 0.61
SLC6A4 P31645 2/20 0.61
TUBB4A P04350 4/20 0.47
TUBB P07437 4/20 0.47
TUBA3C P0DPH7 4/20 0.47
TUBA1B P68363 4/20 0.47
TUBA4A P68366 4/20 0.47
TUBB4B P68371 4/20 0.47
TUBB3 Q13509 4/20 0.47
TUBB2A Q13885 4/20 0.47
TUBB8 Q3ZCM7 4/20 0.47
TUBA3E Q6PEY2 4/20 0.47
TUBA1A Q71U36 4/20 0.47
TUBA1C Q9BQE3 4/20 0.47
TUBB6 Q9BUF5 4/20 0.47
TUBB2B Q9BVA1 4/20 0.47
TUBB1 Q9H4B7 4/20 0.47
PTGS2 P35354 2/20 0.45
PDK2 Q15119 1/20 0.44
CDK4 P11802 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
SCHEMBL10137801 0.85 BCAT2 (0.57) PDK2MEN1KMT2ASMN1; SMN2LTB4R2
SCHEMBL3552327 0.81 RXRA (0.48) MEN1KMT2ASMN1; SMN2LTB4R2BCAT2
SCHEMBL29466501 0.80 SLC6A3 (0.67) SLC6A3SLC6A4TUBB4ATUBBTUBA3C
SCHEMBL3905291 0.80 SLC6A3 (0.67) SLC6A3SLC6A4TUBB4ATUBBTUBA3C
SCHEMBL28231510 0.80 SLC6A3 (0.66) SLC6A3SLC6A4TUBB4ATUBBTUBA3C
SCHEMBL497304 0.78 SLC6A4 (0.64) SLC6A3SLC6A4TUBB4ATUBBTUBA3C
SCHEMBL11132172 0.78 SLC6A3 (0.64) SLC6A3SLC6A4TUBB4ATUBBTUBA3C
Hydrochloric Acid SCHEMBL7605048 0.77 SLC6A4 (0.62) SLC6A3SLC6A4TUBB4ATUBBTUBA3C
SCHEMBL2567641 0.77 BCAT2 (0.71) SLC6A3SLC6A4TUBB4ATUBBTUBA3C
SCHEMBL7605043 0.77 SLC6A3 (0.62) SLC6A3SLC6A4TUBB4ATUBBTUBA3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014066695-A1 COMPOSITIONS AND METHODS FOR TREATING ESTROGEN-RELATED MEDICAL DISORDERS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2014-05-01 WO disclosed
US-20120214798-A1 Novel Ethanediamone Hepcidine Antagonists VIFOR (INTERNATIONAL) AG (CH) 2012-08-23 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-20120214798-A1 Novel Ethanediamone Hepcidine Antagonists HAMP, SLC40A1, FTH1 SLC6A3 4084/4885SLC6A4 3636/4885TUBB4A 4715/4885

“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.