SCHEMBL14880397

SCHEMBL14880397

COC(=O)C(C)c1c[nH]c2ccc(OC)cc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 6/20 0.64
▸ MTNR1B P49286 5/20 0.64
▸ HTR2B P41595 3/20 0.59
▸ HTR2A P28223 2/20 0.59
▸ HTR2C P28335 2/20 0.59
▸ NR4A2 P43354 1/20 0.58
▸ TRPV1 Q8NER1 1/20 0.53
▸ KDM4E B2RXH2 2/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ RAB9A P51151 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ MITF O75030 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ ALDH1A1 P00352 2/20 0.50
▸ CYP1A2 P05177 2/20 0.50
▸ HTR1A P08908 2/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ CYP1A1 P04798 1/20 0.50

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
SCHEMBL10670278 0.85 MTNR1A (0.60) MTNR1AMTNR1BHTR2BHTR2AHTR2C
SCHEMBL30777142 0.84 MTNR1A (0.58) MTNR1AMTNR1BHTR2BHTR2AHTR2C
SCHEMBL24723323 0.84 MTNR1A (0.58) MTNR1AMTNR1BHTR2BHTR2AHTR2C
SCHEMBL15389130 0.83 SPR (0.47) MTNR1AMTNR1BHTR2AHTR2CKDM4E
SCHEMBL28710170 0.83 NR4A2 (0.58) MTNR1AMTNR1BNR4A2
SCHEMBL9790365 0.83 MTNR1A (0.55) MTNR1AMTNR1BHTR2BHTR2AHTR2C
SCHEMBL10565825 0.82 MTNR1A (0.56) MTNR1AMTNR1BHTR2BHTR2AHTR2C
Indorenate SCHEMBL10080621 0.82 HTR2B (0.64) MTNR1AMTNR1BHTR2BHTR2AHTR2C
SCHEMBL10299457 0.81 GABRA1 (0.53) MTNR1AMTNR1B
Indorenate SCHEMBL10566582 0.81 HTR2B (0.63) MTNR1AMTNR1BHTR2BHTR2AHTR2C

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11738004-B2 Indomethacin analogs for the treatment of castrate-resistant prostate cancer VANDERBILT UNIVERSITY (US) 2023-08-29 — — US disclosed
US-20210251960-A1 INDOMETHACIN ANALOGS FOR THE TREATMENT OF CASTRATE-RESISTANT PROSTATE CANCER VANDERBILT UNIVERSITY (US) 2021-08-19 — — US disclosed
US-20190350903-A1 INDOMETHACIN ANALOGS FOR THE TREATMENT OF CASTRATE-RESISTANT PROSTATE CANCER VANDERBILT UNIVERSITY (US) 2019-11-21 — — US disclosed
US-10398678-B2 Indomethacin analogs for the treatment of castrate-resistant prostate cancer VANDERBILT UNIVERSITY (US) 2019-09-03 — — US disclosed
EP-3078374-B1 INDOMETHACIN ANALOGS FOR THE TREATMENT OF CASTRATE-RESISTANT PROSTATE CANCER UNIV VANDERBILT (US) 2019-06-19 — — EP disclosed
US-20180271835-A1 INDOMETHACIN ANALOGS FOR THE TREATMENT OF CASTRATE-RESISTANT PROSTATE CANCER VANDERBILT UNIVERSITY (US) 2018-09-27 — — US disclosed
US-9895351-B2 Indomethacin analogs for the treatment of castrate-resistant prostate cancer VANDERBILT UNIVERSITY (US) 2018-02-20 — — US disclosed
US-20160303082-A1 INDOMETHACIN ANALOGS FOR THE TREATMENT OF CASTRATE-RESISTANT PROSTATE CANCER VANDERBILT UNIVERSITY 2016-10-20 — — US disclosed
EP-3078374-A1 INDOMETHACIN ANALOGS FOR THE TREATMENT OF CASTRATE-RESISTANT PROSTATE CANCER Vanderbilt University (US) 2016-10-12 — — EP disclosed
US-9346803-B2 Indomethacin analogs for the treatment of castrate-resistant prostate cancer VANDERBILT UNIVERSITY (US) 2016-05-24 — — US disclosed
US-20140371261-A1 INDOMETHACIN ANALOGS FOR THE TREATMENT OF CASTRATE-RESISTANT PROSTATE CANCER THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2014-12-18 — — US disclosed
EP-2768499-A1 INDOMETHACIN ANALOGS FOR THE TREATMENT OF CASTRATE-RESISTANT PROSTATE CANCER Vanderbilt University (US) 2014-08-27 — — EP disclosed
WO-2013059245-A1 INDOMETHACIN ANALOGS FOR THE TREATMENT OF CASTRATE-RESISTANT PROSTATE CANCER VANDERBILT UNIVERSITY (US) 2013-04-25 — — WO 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 (7 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-20190350903-A1 INDOMETHACIN ANALOGS FOR THE TREATMENT OF CASTRATE-RESISTANT PROSTATE CANCER AKR1C3, AKR1C4, AKR1C1 MTNR1A 520/4885MTNR1B 1060/4885HTR2B 4208/4885
US-11738004-B2 Indomethacin analogs for the treatment of castrate-resistant prostate cancer AKR1C3, AKR1C4, AKR1C1 MTNR1A 520/4885MTNR1B 1060/4885HTR2B 4208/4885
US-20180271835-A1 INDOMETHACIN ANALOGS FOR THE TREATMENT OF CASTRATE-RESISTANT PROSTATE CANCER AKR1C3, AKR1C4, AKR1C1 MTNR1A 520/4885MTNR1B 1060/4885HTR2B 4208/4885
US-10398678-B2 Indomethacin analogs for the treatment of castrate-resistant prostate cancer AKR1C3, AKR1C4, AKR1C1 MTNR1A 520/4885MTNR1B 1060/4885HTR2B 4208/4885
US-20140371261-A1 INDOMETHACIN ANALOGS FOR THE TREATMENT OF CASTRATE-RESISTANT PROSTATE CANCER AKR1C3, AKR1C4, AKR1C1 MTNR1A 426/4885MTNR1B 892/4885HTR2B 4330/4885
US-20210251960-A1 INDOMETHACIN ANALOGS FOR THE TREATMENT OF CASTRATE-RESISTANT PROSTATE CANCER AKR1C3, AKR1C4, AKR1C1 MTNR1A 520/4885MTNR1B 1060/4885HTR2B 4208/4885
US-20160303082-A1 INDOMETHACIN ANALOGS FOR THE TREATMENT OF CASTRATE-RESISTANT PROSTATE CANCER AKR1C3, AKR1C4, AKR1C1 MTNR1A 520/4885MTNR1B 1060/4885HTR2B 4208/4885

“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.

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