SCHEMBL21750720

SCHEMBL21750720

CC1=CC(C)(C)N(C)c2ccc(Br)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.44
PGR P06401 4/20 0.41
AR P10275 3/20 0.41
NPSR1 Q6W5P4 3/20 0.39
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
POLB P06746 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CRHBP P24387 1/20 0.38
CYP2C19 P33261 1/20 0.38
ATM Q13315 1/20 0.38
CRHR2 Q13324 1/20 0.38
GAA P10253 3/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 3/20 0.36
ALOX12 P18054 3/20 0.36

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
SCHEMBL31476409 0.86 PGR (0.41) PAX8PGRARNPSR1KMT2A
SCHEMBL10001894 0.83 AR (0.41) PGRARNPSR1KMT2AMEN1
SCHEMBL3379896 0.76 KMT2A (0.54) PAX8NPSR1KMT2AMEN1L3MBTL1
SCHEMBL26503069 0.74 ALDH1A1 (0.62) PAX8KMT2AMEN1L3MBTL1POLB
SCHEMBL29838742 0.74 ALDH1A1 (0.62) PAX8KMT2AMEN1L3MBTL1POLB
SCHEMBL2393621 0.74 LMNA (0.57) PAX8PGRARNPSR1KMT2A
SCHEMBL3485083 0.72 ALDH1A1 (0.41) PGRARNPSR1KMT2AMEN1
SCHEMBL31178461 0.72 APP (0.46) PGRARNPSR1KMT2AMEN1
SCHEMBL9354162 0.71 NPSR1 (0.55) PGRARNPSR1KMT2AMEN1
SCHEMBL3485434 0.71 CYP1A2 (0.40) PGRARNPSR1KMT2AMEN1

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 PAX8 2180/4885PGR 2615/4885AR 2467/4885
US-10947198-B2 Chroman-substituted, tetrahydroquinoline-substituted and thiochroman-substituted heteroarotinoids as anti-cancer agents HCCS, CDYL, XPOT PAX8 2180/4885PGR 2615/4885AR 2467/4885
US-11993573-B2 Chromane-substituted, tetrahydroquinoline-substituted and thiochromane-substituted heteroarotinoids as anti-cancer agents HCCS, CDYL, CDYL2 PAX8 1029/4885PGR 2268/4885AR 2406/4885
US-20200062711-A1 CHROMAN-SUBSTITUTED, TETRAHYDROQUINOLINE-SUBSTITUTED AND THIOCHROMAN-SUBSTITUTED HETEROAROTINOIDS AS ANTI-CANCER AGENTS HCCS, CDYL, XPOT PAX8 2180/4885PGR 2615/4885AR 2467/4885

“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.