SCHEMBL7968199

SCHEMBL7968199

COCc1ccc(N(C)C)cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.58
TSHR P16473 4/20 0.58
MAPK1 P28482 3/20 0.58
CYP3A4 P08684 2/20 0.58
TDP1 Q9NUW8 2/20 0.58
APP P05067 5/20 0.53
HSD17B10 Q99714 2/20 0.52
ALOX15 P16050 2/20 0.52
HPGD P15428 4/20 0.51
KDM4E B2RXH2 2/20 0.51
NPC1 O15118 1/20 0.51
GAA P10253 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CALM1 P0DP23 2/20 0.50
MAPT P10636 3/20 0.46
TP53 P04637 1/20 0.42
RAB9A P51151 1/20 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
SCHEMBL24542733 0.94 ALDH1A1 (0.52) ALDH1A1TSHRMAPK1CYP3A4TDP1
SCHEMBL279357 0.83 APP (0.37) ALDH1A1TSHRMAPK1CYP3A4TDP1
SCHEMBL134443 0.82 IDO1 (0.46) TSHRAPPTP53
SCHEMBL12509337 0.79 APP (0.56) ALDH1A1TSHRMAPK1CYP3A4TDP1
SCHEMBL7968195 0.79 ALDH1A1 (0.56) ALDH1A1TSHRMAPK1CYP3A4TDP1
SCHEMBL24696625 0.79 ALDH1A1 (0.50) ALDH1A1TSHRMAPK1CYP3A4TDP1
SCHEMBL12422435 0.77 LPL (0.40) ALDH1A1TSHRMAPK1TDP1APP
SCHEMBL20691534 0.77 ALDH1A1 (0.54) ALDH1A1TSHRMAPK1CYP3A4TDP1
SCHEMBL308112 0.77 ERN1 (0.41) ALDH1A1TSHRMAPK1TDP1APP
SCHEMBL15617851 0.77 LPL (0.40) ALDH1A1TSHRMAPK1TDP1APP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6274715-B1 SEMISYNTHETIC MACROLIDES, USEFUL IN BACTERIAL INFECTIONS TREATMENT AND PREVENTION, HAS LESS POTENTIAL FOR DEVELOPING RESISTANCE, IMPROVED OR MODIFIED PROFILES OF DESIRED GRAM-NEGATIVE ACTIVITY ABBOTT LABORATORIES 2001-08-14 US claimed
EP-0961776-A1 TRICYCLIC ERYTHROMYCIN DERIVATIVES Abbott Laboratories (US) 1999-12-08 EP claimed
WO-1998030574-A1 TRICYCLIC ERYTHROMYCIN DERIVATIVES ABBOTT LABORATORIES (US) 1998-07-16 WO claimed
WO-2023009835-A9 ANTIBODY CONJUGATES SPECIFIC FOR MUCIN-1 AND METHODS OF USE THEREOF R.P. SCHERER TECHNOLOGIES, LLC (US) 2024-01-04 WO disclosed
US-9801851-B2 Methods and compositions for the treatment of BCR-ABL positive lymphoblastic leukemias ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2017-10-31 US disclosed
US-20150133462-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF BCR-ABL POSITIVE LYMPHOBLASTIC LEUKEMIAS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2015-05-14 US disclosed
US-6274715-B1 SEMISYNTHETIC MACROLIDES, USEFUL IN BACTERIAL INFECTIONS TREATMENT AND PREVENTION, HAS LESS POTENTIAL FOR DEVELOPING RESISTANCE, IMPROVED OR MODIFIED PROFILES OF DESIRED GRAM-NEGATIVE ACTIVITY ABBOTT LABORATORIES 2001-08-14 US disclosed
EP-0961776-A1 TRICYCLIC ERYTHROMYCIN DERIVATIVES Abbott Laboratories (US) 1999-12-08 EP disclosed
WO-1998030574-A1 TRICYCLIC ERYTHROMYCIN DERIVATIVES ABBOTT LABORATORIES (US) 1998-07-16 WO 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-20150133462-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF BCR-ABL POSITIVE LYMPHOBLASTIC LEUKEMIAS ABL1, BCR, ABL2 ALDH1A1 2348/4885TSHR 4621/4885MAPK1 692/4885

“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.