SCHEMBL17427768

SCHEMBL17427768

CCc1nc2ccccc2cc1C(C)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.46
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 6/20 0.43
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
CA12 O43570 1/20 0.41
CYP1A2 P05177 1/20 0.41
NT5E P21589 1/20 0.41
MAOB P27338 1/20 0.41
CA9 Q16790 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HPGD P15428 3/20 0.41
GLA P06280 1/20 0.41
ACHE P22303 1/20 0.41
GAA P10253 2/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 2/20 0.40

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
SCHEMBL2552834 0.87 GABRP (0.50) IKBKBALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL17339728 0.85 IKBKB (0.45) IKBKBALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL19841045 0.84 TLR8 (0.49) IKBKBALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL9632112 0.83 RAB9A (0.52) IKBKBALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL11431563 0.81 IKBKB (0.42) IKBKBALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL28559696 0.80 SMN1; SMN2 (0.41) IKBKBALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL27828993 0.77 IKBKB (0.50) IKBKBALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL7915323 0.77 SMN1; SMN2 (0.59) IKBKBALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL12014829 0.77 PSMB5 (0.62) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL22279055 0.77 RXFP1 (0.47) IKBKBALDH1A1KDM4EMAPTSMN1; SMN2

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
EP-3138831-A1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF President and Fellows of Harvard College (US) 2017-03-08 EP disclosed
US-20160340325-A1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-11-24 US disclosed
US-20160009652-A1 SMALL-MOLECULE MODULATORS OF MELANIN EXPRESSION UNIV ROCHESTER (US) 2016-01-14 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-20160009652-A1 SMALL-MOLECULE MODULATORS OF MELANIN EXPRESSION TYR, MITF, MC1R IKBKB 3321/4885ALDH1A1 737/4885KDM4E 3027/4885
US-20160340325-A1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF TET1, TET3, MYC IKBKB 571/4885ALDH1A1 4455/4885KDM4E 800/4885

“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.