SCHEMBL21750682

SCHEMBL21750682

CCC1(CC)CC(C)(C)c2ccccc2O1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.32
KMT2A Q03164 3/20 0.32
CYP2C19 P33261 3/20 0.32
CYP1A2 P05177 2/20 0.32
HTR2A P28223 1/20 0.31
CYP2D6 P10635 2/20 0.30
TSHR P16473 2/20 0.30
PKM P14618 1/20 0.30
NFKB1 P19838 1/20 0.30
THPO P40225 1/20 0.30
ADRA2A P08913 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NISCH Q9Y2I1 1/20 0.30
MEN1 O00255 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30

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
SCHEMBL12681600 0.82 POLB (0.32) POLBKMT2ACYP2C19CYP1A2HTR2A
SCHEMBL21750770 0.82 CYP2C19 (0.32) KMT2ACYP2C19CYP1A2CYP2D6TSHR
SCHEMBL17427492 0.77 ALDH1A1 (0.33) HTR2A
SCHEMBL8561686 0.77 AKR1B1 (0.35)
SCHEMBL21750675 0.77 MAPT (0.35) KMT2ASMN1; SMN2MEN1
SCHEMBL4520263 0.77 BACE1 (0.40)
SCHEMBL10755777 0.76 AKR1B1 (0.36) KMT2ACYP2C19CYP1A2HTR2A
SCHEMBL21750642 0.73
SCHEMBL21750746 0.71 AKR1B1 (0.35) POLBKMT2ACYP2C19CYP1A2HTR2A
SCHEMBL12680661 0.71

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 7 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-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-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
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 POLB 2182/4885KMT2A 1349/4885CYP2C19 3398/4885
US-10947198-B2 Chroman-substituted, tetrahydroquinoline-substituted and thiochroman-substituted heteroarotinoids as anti-cancer agents HCCS, CDYL, XPOT POLB 2182/4885KMT2A 1349/4885CYP2C19 3398/4885
US-11993573-B2 Chromane-substituted, tetrahydroquinoline-substituted and thiochromane-substituted heteroarotinoids as anti-cancer agents HCCS, CDYL, CDYL2 POLB 2095/4885KMT2A 973/4885CYP2C19 3645/4885
US-20200062711-A1 CHROMAN-SUBSTITUTED, TETRAHYDROQUINOLINE-SUBSTITUTED AND THIOCHROMAN-SUBSTITUTED HETEROAROTINOIDS AS ANTI-CANCER AGENTS HCCS, CDYL, XPOT POLB 2182/4885KMT2A 1349/4885CYP2C19 3398/4885

“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.