SCHEMBL1004333

SCHEMBL1004333

Cc1cc(C)cc(C[Mg]Br)c1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.35
PGK1 P00558 1/20 0.33
PGK2 P07205 1/20 0.33
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
IDH1 O75874 1/20 0.31

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
SCHEMBL933385 0.77 TAAR1 (0.50) ALDH1A1CYP11B1CYP11B2
SCHEMBL2291118 0.74 ALDH1A1 (0.35) ALDH1A1TSHRPGK1PGK2CYP11B1
SCHEMBL5633593 0.74 IDO1 (0.46) ALDH1A1
SCHEMBL28591028 0.73 ALDH1A1 (0.56) ALDH1A1TSHR
SCHEMBL502038 0.69 ALDH1A1 (0.40) ALDH1A1TSHRPGK1PGK2CYP11B1
SCHEMBL7536615 0.69 CYP1A2 (0.40) ALDH1A1TSHR
SCHEMBL467238 0.69 ALDH1A1 (0.50) ALDH1A1TSHR
SCHEMBL6291666 0.68 TSHR (0.42) TSHR
SCHEMBL3588189 0.67 IDH1 (0.46) ALDH1A1TSHRPGK1PGK2CYP11B1
SCHEMBL3690305 0.67 ALDH1A1 (0.44) ALDH1A1TSHRPGK1PGK2CYP11B1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112789108-B Catalyst for asymmetric hydrogenation of compounds containing carbon double bonds 格拉斯如睦株式会社 2023-09-19 CN disclosed
EP-3862083-B1 CATALYST FOR ASYMMETRIC HYDROGENATION OF COMPOUND CONTAINING CARBON DOUBLE BOND GLACEUM INC (KR) 2023-03-08 EP disclosed
US-11420988-B2 Catalyst for asymmetric hydrogenation of compound containing carbon double bond GLACEUM, INC. (KR) 2022-08-23 US disclosed
US-20210395282-A1 CATALYST FOR ASYMMETRIC HYDROGENATION OF COMPOUND CONTAINING CARBON DOUBLE BOND GLACEUM, INC. (KR) 2021-12-23 US disclosed
EP-3862083-A1 CATALYST FOR ASYMMETRIC HYDROGENATION OF COMPOUND CONTAINING CARBON DOUBLE BOND Glaceum, Inc. (KR) 2021-08-11 EP disclosed
CN-112789108-A Catalyst for asymmetric hydrogenation of compounds containing carbon double bonds 格拉斯如睦株式会社 2021-05-11 CN disclosed
WO-2020071818-A1 CATALYST FOR ASYMMETRIC HYDROGENATION OF COMPOUND CONTAINING CARBON DOUBLE BOND 주식회사 글라세움 2020-04-09 WO disclosed
US-20180194775-A1 COMPOUND HAVING AGONISTIC ACTIVITY ON SOMATOSTATIN RECEPTOR, AND USE THEREOF FOR MEDICAL PURPOSES ONO PHARMACEUTICAL CO., LTD. (JP) 2018-07-12 US disclosed
US-9975904-B2 Compound having agonistic activity on somatostatin receptor, and use thereof for medical purposes ONO PHARMACEUTICAL CO., LTD. (JP) 2018-05-22 US disclosed
US-20170183359-A1 COMPOUND HAVING AGONISTIC ACTIVITY ON SOMATOSTATIN RECEPTOR, AND USE THEREOF FOR MEDICAL PURPOSES ONO PHARMACEUTICAL CO., LTD. (JP) 2017-06-29 US disclosed
US-20150232478-A1 COMPOUND HAVING AGONISTIC ACTIVITY ON SOMATOSTATIN RECEPTOR, AND USE THEREOF FOR MEDICAL PURPOSES ONO PHARMACEUTICAL CO., LTD. (JP) 2015-08-20 US disclosed
EP-2871179-A1 COMPOUND HAVING AGONISTIC ACTIVITY ON SOMATOSTATIN RECEPTOR, AND USE THEREOF FOR MEDICAL PURPOSES ONO Pharmaceutical Co., Ltd. (JP) 2015-05-13 EP disclosed
US-7902252-B2 Inhibitors of D-amino acid oxidase SEPRACOR, INC. (US) 2011-03-08 US disclosed
WO-2011011330-A2 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2011-01-27 WO disclosed
US-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2010-02-04 US disclosed
US-20090149445-A1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS COGHLAN MICHAEL JOSEPH 2009-06-11 US disclosed
US-7268152-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-09-11 US disclosed
EP-1490317-A1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2004-12-29 EP disclosed
US-20040029932-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-02-12 US disclosed
WO-2003082787-A1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-10-09 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 (8 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-20170183359-A1 COMPOUND HAVING AGONISTIC ACTIVITY ON SOMATOSTATIN RECEPTOR, AND USE THEREOF FOR MEDICAL PURPOSES SSTR2, SSTR1, SSTR3 ALDH1A1 3249/4885TSHR 67/4885PGK1 4447/4885
US-20150232478-A1 COMPOUND HAVING AGONISTIC ACTIVITY ON SOMATOSTATIN RECEPTOR, AND USE THEREOF FOR MEDICAL PURPOSES SSTR2, SSTR1, SSTR3 ALDH1A1 3156/4885TSHR 64/4885PGK1 4464/4885
US-20180194775-A1 COMPOUND HAVING AGONISTIC ACTIVITY ON SOMATOSTATIN RECEPTOR, AND USE THEREOF FOR MEDICAL PURPOSES SSTR2, SSTR1, SSTR3 ALDH1A1 3249/4885TSHR 67/4885PGK1 4447/4885
US-20040029932-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof NR3C1, NR3C2, MC2R ALDH1A1 2659/4885TSHR 452/4885PGK1 449/4885
US-20090149445-A1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS NR5A1, NR3C2, NR3C1 ALDH1A1 1812/4885TSHR 75/4885PGK1 2048/4885
US-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, ACHE ALDH1A1 465/4885TSHR 4620/4885PGK1 2566/4885
US-20210395282-A1 CATALYST FOR ASYMMETRIC HYDROGENATION OF COMPOUND CONTAINING CARBON DOUBLE BOND INF2, DCX, HDHD5 ALDH1A1 464/4885TSHR 3991/4885PGK1 3967/4885
US-11420988-B2 Catalyst for asymmetric hydrogenation of compound containing carbon double bond INF2, DCX, HDHD5 ALDH1A1 464/4885TSHR 3991/4885PGK1 3967/4885

“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.