SCHEMBL21750677

SCHEMBL21750677

CC1C(=O)C(C)(C)N(C)c2ccc(Br)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
ALDH1A1 P00352 7/20 0.38
TSHR P16473 4/20 0.38
POLB P06746 2/20 0.38
LMNA P02545 2/20 0.37
MAPK1 P28482 1/20 0.37
MAPT P10636 2/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
HBB P68871 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HTR7 P34969 1/20 0.34
HTR2B P41595 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
TP53 P04637 1/20 0.33
BRD4 O60885 1/20 0.33
PGR P06401 2/20 0.33

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
SCHEMBL24148135 0.75 MEN1 (0.57) KMT2AMEN1ALDH1A1TSHRPOLB
SCHEMBL21750778 0.69 KMT2A (0.38) KMT2AMEN1ALDH1A1TSHRPOLB
SCHEMBL27655629 0.69 OPRM1 (0.39) KMT2AMEN1ALDH1A1TSHRPOLB
SCHEMBL21750759 0.69 HSPA9 (0.51) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL31568221 0.67 CA1 (0.40) KMT2AMEN1ALDH1A1TSHRPOLB
SCHEMBL29704482 0.65 MEN1 (0.47) KMT2AMEN1ALDH1A1TSHRLMNA
SCHEMBL19644092 0.65 MEN1 (0.47) KMT2AMEN1ALDH1A1TSHRLMNA
SCHEMBL3519770 0.62 PGR (0.53) ALDH1A1POLBLMNAMAPTTP53
SCHEMBL13437405 0.62 HTR2B (0.40) KMT2AMEN1ALDH1A1TSHRLMNA
SCHEMBL29891547 0.62 PGR (0.53) ALDH1A1POLBLMNAMAPTTP53

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 KMT2A 1349/4885MEN1 2784/4885ALDH1A1 4089/4885
US-10947198-B2 Chroman-substituted, tetrahydroquinoline-substituted and thiochroman-substituted heteroarotinoids as anti-cancer agents HCCS, CDYL, XPOT KMT2A 1349/4885MEN1 2784/4885ALDH1A1 4089/4885
US-11993573-B2 Chromane-substituted, tetrahydroquinoline-substituted and thiochromane-substituted heteroarotinoids as anti-cancer agents HCCS, CDYL, CDYL2 KMT2A 973/4885MEN1 2252/4885ALDH1A1 3983/4885
US-20200062711-A1 CHROMAN-SUBSTITUTED, TETRAHYDROQUINOLINE-SUBSTITUTED AND THIOCHROMAN-SUBSTITUTED HETEROAROTINOIDS AS ANTI-CANCER AGENTS HCCS, CDYL, XPOT KMT2A 1349/4885MEN1 2784/4885ALDH1A1 4089/4885

“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.