SCHEMBL21750779

SCHEMBL21750779

CC1(C)CCOc2ccc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)cc21

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 10/20 0.68
KMT2A Q03164 10/20 0.68
MAPT P10636 6/20 0.68
RAB9A P51151 4/20 0.68
NPC1 O15118 4/20 0.68
MAPK1 P28482 4/20 0.68
LMNA P02545 3/20 0.68
SMN1; SMN2 Q16637 3/20 0.68
HSPA9 P38646 5/20 0.62
BAZ1A Q9NRL2 1/20 0.55
HTT P42858 1/20 0.53
CRHBP P24387 1/20 0.51
CRHR2 Q13324 1/20 0.51
CYP26A1 O43174 1/20 0.51
CYP26B1 Q9NR63 1/20 0.51
TRPV1 Q8NER1 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
MYOC Q99972 1/20 0.47
APEX1 P27695 1/20 0.46

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
SCHEMBL21750747 0.90 HSPA9 (0.63) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL21750809 0.81 RARA (0.47) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL21750775 0.79 EPHX2 (0.54) MEN1KMT2AMAPTSMN1; SMN2HSPA9
SCHEMBL21750666 0.78 MEN1 (0.54) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL21750659 0.77 HSPA9 (1.00) MEN1KMT2AMAPTRAB9ANPC1
Iodide SCHEMBL21750676 0.76 HSPA9 (1.00) MEN1KMT2AMAPTRAB9ANPC1
Iodide SCHEMBL31010405 0.76 HSPA9 (1.00) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL8459297 0.74 RARA (0.69) MEN1KMT2ARAB9ANPC1MAPK1
SCHEMBL21750785 0.73 MEN1 (0.54) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL6302157 0.73 MEN1 (1.00) MEN1KMT2AMAPTRAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
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 MEN1 2784/4885KMT2A 1349/4885MAPT 4035/4885
US-10947198-B2 Chroman-substituted, tetrahydroquinoline-substituted and thiochroman-substituted heteroarotinoids as anti-cancer agents HCCS, CDYL, XPOT MEN1 2784/4885KMT2A 1349/4885MAPT 4035/4885
US-11993573-B2 Chromane-substituted, tetrahydroquinoline-substituted and thiochromane-substituted heteroarotinoids as anti-cancer agents HCCS, CDYL, CDYL2 MEN1 2252/4885KMT2A 973/4885MAPT 4052/4885
US-20200062711-A1 CHROMAN-SUBSTITUTED, TETRAHYDROQUINOLINE-SUBSTITUTED AND THIOCHROMAN-SUBSTITUTED HETEROAROTINOIDS AS ANTI-CANCER AGENTS HCCS, CDYL, XPOT MEN1 2784/4885KMT2A 1349/4885MAPT 4035/4885

“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.