SCHEMBL21775982

SCHEMBL21775982

CCC(CC)(CC(C)(C)O)c1ccccc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
TSHR P16473 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
HSP90AA1 P07900 3/20 0.34
HSP90AB1 P08238 2/20 0.34
CA2 P00918 2/20 0.33
NR3C1 P04150 1/20 0.33
PGR P06401 1/20 0.33
NR3C2 P08235 1/20 0.33
LMNA P02545 2/20 0.32
ALOX15 P16050 2/20 0.32
HSD17B10 Q99714 2/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
CA12 O43570 1/20 0.32
GMNN O75496 1/20 0.32
EGFR P00533 1/20 0.32
FYN P06241 1/20 0.32
POLB P06746 1/20 0.32
CA3 P07451 1/20 0.32

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
SCHEMBL21750656 0.85 TSHR (0.45) ALDH1A1TSHRTDP1HSP90AA1HSP90AB1
SCHEMBL31276573 0.84 TSHR (0.56) ALDH1A1TSHRTDP1HSP90AA1CA2
SCHEMBL980707 0.84 TSHR (0.56) ALDH1A1TSHRTDP1HSP90AA1CA2
SCHEMBL7176854 0.79 ALDH1A1 (0.56) ALDH1A1TSHRTDP1CA2NR3C1
SCHEMBL983851 0.77 TSHR (0.48) ALDH1A1TSHRTDP1HSP90AA1HSP90AB1
SCHEMBL650917 0.77 TSHR (0.48) ALDH1A1TSHRTDP1CA2LMNA
SCHEMBL7550163 0.76 ALDH1A1 (0.58) ALDH1A1TSHRTDP1HSP90AA1HSP90AB1
SCHEMBL21750713 0.74 ALDH1A1 (0.50) ALDH1A1TSHRTDP1HSP90AA1HSP90AB1
SCHEMBL982245 0.74 TSHR (0.45) ALDH1A1TSHRTDP1HSP90AA1HSP90AB1
SCHEMBL981692 0.74 TSHR (0.45) ALDH1A1TSHRTDP1HSP90AA1HSP90AB1

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
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 (3 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 ALDH1A1 4089/4885TSHR 1812/4885TDP1 2610/4885
US-10947198-B2 Chroman-substituted, tetrahydroquinoline-substituted and thiochroman-substituted heteroarotinoids as anti-cancer agents HCCS, CDYL, XPOT ALDH1A1 4089/4885TSHR 1812/4885TDP1 2610/4885
US-20200062711-A1 CHROMAN-SUBSTITUTED, TETRAHYDROQUINOLINE-SUBSTITUTED AND THIOCHROMAN-SUBSTITUTED HETEROAROTINOIDS AS ANTI-CANCER AGENTS HCCS, CDYL, XPOT ALDH1A1 4089/4885TSHR 1812/4885TDP1 2610/4885

“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.