SCHEMBL21750808

SCHEMBL21750808

CCC1(CC)CC(C)(C)Oc2ccc(NC(=S)Nc3ccc([N+](=O)[O-])cc3)cc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPA9 P38646 5/20 0.56
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
ALDH1A1 P00352 9/20 0.46
SMN1; SMN2 Q16637 6/20 0.46
AKR1B1 P15121 1/20 0.46
LMNA P02545 7/20 0.46
MAPT P10636 6/20 0.46
HTT P42858 3/20 0.46
P2RX5 Q93086 1/20 0.44
P2RX4 Q99571 1/20 0.44
P2RX7 Q99572 1/20 0.44
P2RX2 Q9UBL9 1/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
NPC1 O15118 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
GLA P06280 1/20 0.42
CYP19A1 P11511 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
SCHEMBL21750788 0.91 HSPA9 (0.55) HSPA9CA1CA2ALDH1A1SMN1; SMN2
SCHEMBL21750785 0.91 MEN1 (0.54) HSPA9ALDH1A1SMN1; SMN2AKR1B1LMNA
SCHEMBL21750820 0.87 HSPA9 (0.63) HSPA9CA1CA2ALDH1A1SMN1; SMN2
SCHEMBL21750692 0.83 HSPA9 (0.59) HSPA9CA1CA2ALDH1A1SMN1; SMN2
SCHEMBL21750758 0.82 HSPA9 (0.50) HSPA9CA1CA2ALDH1A1SMN1; SMN2
SCHEMBL21750780 0.81 MEN1 (0.53) HSPA9ALDH1A1SMN1; SMN2AKR1B1LMNA
SCHEMBL21750747 0.74 HSPA9 (0.63) HSPA9CA1CA2ALDH1A1SMN1; SMN2
SCHEMBL21750814 0.74 HSPA9 (0.47) HSPA9CA1CA2MEN1KMT2A
SCHEMBL21750666 0.74 MEN1 (0.54) HSPA9ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL21750749 0.71 AKR1B1 (0.50) CA1CA2ALDH1A1AKR1B1MEN1

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 HSPA9 2213/4885CA1 3920/4885CA2 3158/4885
US-10947198-B2 Chroman-substituted, tetrahydroquinoline-substituted and thiochroman-substituted heteroarotinoids as anti-cancer agents HCCS, CDYL, XPOT HSPA9 2213/4885CA1 3920/4885CA2 3158/4885
US-11993573-B2 Chromane-substituted, tetrahydroquinoline-substituted and thiochromane-substituted heteroarotinoids as anti-cancer agents HCCS, CDYL, CDYL2 HSPA9 3140/4885CA1 3448/4885CA2 2762/4885
US-20200062711-A1 CHROMAN-SUBSTITUTED, TETRAHYDROQUINOLINE-SUBSTITUTED AND THIOCHROMAN-SUBSTITUTED HETEROAROTINOIDS AS ANTI-CANCER AGENTS HCCS, CDYL, XPOT HSPA9 2213/4885CA1 3920/4885CA2 3158/4885

“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.