SCHEMBL21750652

SCHEMBL21750652

CSC1(SC)CCOc2ccc(NC(C)=O)cc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.57
CYP2C19 P33261 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
MAPT P10636 5/20 0.53
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 2/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PKM P14618 1/20 0.41
POLB P06746 3/20 0.41
GAA P10253 1/20 0.41
APP P05067 2/20 0.41
BACE1 P56817 2/20 0.41
RECQL P46063 1/20 0.40
BLM P54132 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP26A1 O43174 1/20 0.40
CYP26B1 Q9NR63 1/20 0.40
KDM4E B2RXH2 1/20 0.40
TP53 P04637 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
SCHEMBL4421853 0.82 KDM4E (0.50) CYP1A2CYP2C19NPSR1MAPTCYP26A1
SCHEMBL8101913 0.77 RARB (0.53) CYP26A1CYP26B1
SCHEMBL20636848 0.76 CASP1 (0.39) CYP1A2CYP2C19NPSR1MAPTMEN1
SCHEMBL8109801 0.74 CYP26A1 (0.46) MAPTSMN1; SMN2MEN1KMT2APKM
SCHEMBL394762 0.74 CYP1A2 (0.61) CYP1A2CYP2C19NPSR1MAPTSMN1; SMN2
SCHEMBL6146444 0.74 CYP26A1 (0.50) CYP1A2CYP2C19MAPTLMNAPOLB
SCHEMBL5861384 0.74 CYP1A2 (1.00) CYP1A2CYP2C19NPSR1MAPTSMN1; SMN2
SCHEMBL20636852 0.73 RARB (0.38) CYP1A2CYP2C19NPSR1SMN1; SMN2CYP26A1
SCHEMBL2245426 0.73 CYP1A2 (0.69) CYP1A2CYP2C19NPSR1MAPTSMN1; SMN2
SCHEMBL4373634 0.73 LMNA (0.42) MAPTLMNABACE1BLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11993573-B2 Chromane-substituted, tetrahydroquinoline-substituted and thiochromane-substituted heteroarotinoids as anti-cancer agents THE BOARD OF REGENTS FOR OKLAHOMA STATE UNIVERSITY (US) 2024-05-28 US disclosed
US-20210163415-A1 CHROMAN-SUBSTITUTED, TETRAHYDROQUINOLINE-SUBSTITUTED AND THIOCHROMAN-SUBSTITUTED HETEROAROTINOIDS AS ANTI-CANCER AGENTS THE BOARD OF REGENTS FOR OKLAHOMA STATE UNIVERSITY (US) 2021-06-03 US disclosed
US-10947198-B2 Chroman-substituted, tetrahydroquinoline-substituted and thiochroman-substituted heteroarotinoids as anti-cancer agents THE BOARD OF REGENTS FOR OKLAHOMA STATE UNIVERSITY (US) 2021-03-16 US disclosed
US-20200062711-A1 CHROMAN-SUBSTITUTED, TETRAHYDROQUINOLINE-SUBSTITUTED AND THIOCHROMAN-SUBSTITUTED HETEROAROTINOIDS AS ANTI-CANCER AGENTS THE BOARD OF REGENTS FOR OKLAHOMA STATE UNIVERSITY 2020-02-27 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 (4 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-20210163415-A1 CHROMAN-SUBSTITUTED, TETRAHYDROQUINOLINE-SUBSTITUTED AND THIOCHROMAN-SUBSTITUTED HETEROAROTINOIDS AS ANTI-CANCER AGENTS HCCS, CDYL, XPOT CYP1A2 1846/4885CYP2C19 3398/4885NPSR1 3449/4885
US-10947198-B2 Chroman-substituted, tetrahydroquinoline-substituted and thiochroman-substituted heteroarotinoids as anti-cancer agents HCCS, CDYL, XPOT CYP1A2 1846/4885CYP2C19 3398/4885NPSR1 3449/4885
US-11993573-B2 Chromane-substituted, tetrahydroquinoline-substituted and thiochromane-substituted heteroarotinoids as anti-cancer agents HCCS, CDYL, CDYL2 CYP1A2 1377/4885CYP2C19 3645/4885NPSR1 3317/4885
US-20200062711-A1 CHROMAN-SUBSTITUTED, TETRAHYDROQUINOLINE-SUBSTITUTED AND THIOCHROMAN-SUBSTITUTED HETEROAROTINOIDS AS ANTI-CANCER AGENTS HCCS, CDYL, XPOT CYP1A2 1846/4885CYP2C19 3398/4885NPSR1 3449/4885

“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.