SCHEMBL21750778

SCHEMBL21750778

CC1c2cc(Br)ccc2N(C)C(C)(C)C1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
HTR2B P41595 2/20 0.37
HTR7 P34969 1/20 0.37
TMEM97 Q5BJF2 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
ALDH1A1 P00352 5/20 0.35
TSHR P16473 3/20 0.35
POLB P06746 1/20 0.35
OPRM1 P35372 2/20 0.33
OPRK1 P41145 2/20 0.33
OPRD1 P41143 1/20 0.33
PGR P06401 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
CNR2 P34972 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
LMNA P02545 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
SCHEMBL6290912 0.80 CHEK1 (0.41) KMT2AMEN1HTR2BALDH1A1TSHR
SCHEMBL6290239 0.74 CNR2 (0.32) TSHRCNR2MAPK1
SCHEMBL27655629 0.70 OPRM1 (0.39) KMT2AMEN1HTR2BHTR7TMEM97
SCHEMBL21750677 0.69 KMT2A (0.40) KMT2AMEN1HTR2BHTR7TMEM97
SCHEMBL8026081 0.66 ALDH1A1 (0.38) KMT2AMEN1HTR2BHTR7TMEM97
SCHEMBL9162432 0.65 KMT2A (0.40) KMT2AMEN1HTR2BHTR7TMEM97
SCHEMBL31568221 0.64 CA1 (0.40) KMT2AMEN1HTR2BHTR7TMEM97
SCHEMBL13437405 0.63 HTR2B (0.40) KMT2AMEN1HTR2BHTR7TMEM97
SCHEMBL24148135 0.62 MEN1 (0.57) KMT2AMEN1ALDH1A1TSHRPOLB
SCHEMBL10511630 0.62 PGR (0.41) KMT2AMEN1HTR2BHTR7TMEM97

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 2784/4885HTR2B 1155/4885
US-10947198-B2 Chroman-substituted, tetrahydroquinoline-substituted and thiochroman-substituted heteroarotinoids as anti-cancer agents HCCS, CDYL, XPOT KMT2A 1349/4885MEN1 2784/4885HTR2B 1155/4885
US-11993573-B2 Chromane-substituted, tetrahydroquinoline-substituted and thiochromane-substituted heteroarotinoids as anti-cancer agents HCCS, CDYL, CDYL2 KMT2A 973/4885MEN1 2252/4885HTR2B 1092/4885
US-20200062711-A1 CHROMAN-SUBSTITUTED, TETRAHYDROQUINOLINE-SUBSTITUTED AND THIOCHROMAN-SUBSTITUTED HETEROAROTINOIDS AS ANTI-CANCER AGENTS HCCS, CDYL, XPOT KMT2A 1349/4885MEN1 2784/4885HTR2B 1155/4885

“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.