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SCHEMBL10256205

SCHEMBL10256205

C=C(C)c1cc(C(=O)O)c(C)cc1OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 2/20 0.54
▸ RXRA P19793 3/20 0.51
▸ RXRB P28702 1/20 0.51
▸ RXRG P48443 1/20 0.51
▸ PTGER1 P34995 1/20 0.49
▸ FOLH1 Q04609 1/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ MAPT P10636 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ MAOB P27338 2/20 0.48
▸ FFAR4 Q5NUL3 1/20 0.47
▸ NR4A1 P22736 1/20 0.47
▸ NR4A2 P43354 1/20 0.47
▸ NR4A3 Q92570 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ POLB P06746 1/20 0.45

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
SCHEMBL382550 0.90 FOLH1 (0.56) MCL1PTGER1FOLH1L3MBTL1MAPT
SCHEMBL4015321 0.89 FOLH1 (0.55) MCL1PTGER1FOLH1L3MBTL1MAPT
SCHEMBL12659551 0.88 ALDH1A1 (0.50) MCL1RXRARXRBRXRGL3MBTL1
SCHEMBL12659541 0.88 LMNA (0.47) MCL1RXRARXRBRXRGL3MBTL1
Potassium Ion SCHEMBL4012442 0.88 FOLH1 (0.53) MCL1PTGER1FOLH1L3MBTL1MAPT
SCHEMBL14646683 0.86 MAOB (0.57) MCL1PTGER1FOLH1L3MBTL1MAPT
SCHEMBL3112448 0.86 RXRA (0.59) MCL1RXRARXRBRXRGPTGER1
SCHEMBL15000766 0.81 MAOB (0.42) MCL1RXRARXRBRXRGL3MBTL1
SCHEMBL383297 0.81 LMNA (0.50) L3MBTL1MAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL31363103 0.81 ALDH1A1 (0.54) L3MBTL1MAPTCYP2C9CYP2C19SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9914719-B2 Hydroxybenzamide derivatives and their use as inhibitors of HSP90 ASTEX THERAPEUTICS LTD. (GB) 2018-03-13 — — US disclosed
US-9428439-B2 Hydrobenzamide derivatives as inhibitors of Hsp90 ASTEX THERAPEUTICS LTD. (GB) 2016-08-30 — — US disclosed
US-20160193200-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS HSP90 INHIBTORS CHROMA THERAPEUTICS LTD. (GB) 2016-07-07 — — US disclosed
US-9321718-B2 Benzamide derivatives and their use as HSP90 inhibtors CHROMA THERAPEUTICS LTD. (GB) 2016-04-26 — — US disclosed
US-20150045362-A1 Hydroxybenzamide Derivatives And Their Use As Inhibitors Of HSP90 ASTEX THERAPEUTICS LTD. (GB) 2015-02-12 — — US disclosed
US-8883790-B2 Pharmaceutical combinations ASTEX THERAPEUTICS LIMITED (GB) 2014-11-11 — — US disclosed
US-20140221394-A1 HYDROBENZAMIDE DERIVATIVES AS INHIBITORS OF HSP90 Astex Therapeutic Ltd. (GB) 2014-08-07 — — US disclosed
US-8779132-B2 Pharmaceutical compounds ASTEX THERAPEUTICS LIMITED (GB) 2014-07-15 — — US disclosed
US-8653084-B2 Hydrobenzamide derivatives as inhibitors of Hsp90 ASTEX THERAPEUTICS LTD. (GB) 2014-02-18 — — US disclosed
US-8530469-B2 Therapeutic combinations of hydroxybenzamide derivatives as inhibitors of HSP90 ASTEX THERAPEUTICS LTD. (GB) 2013-09-10 — — US disclosed
US-20130143926-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS HSP90 INHIBTORS CHROMA THERAPEUTICS LTD. (GB) 2013-06-06 — — US disclosed
US-20120251545-A1 Therapeutic Combinations Of Hydroxybenzamide Derivatives As Inhibitors Of HSP90 ASTEX THERAPEUTICS LIMITED (GB) 2012-10-04 — — US disclosed
US-8106057-B2 Dihydroxyphenyl isoindolylmethanones ASTEX THERAPEUTICS, LTD. (GB) 2012-01-31 — — US disclosed
US-20110105501-A1 PHARMACEUTICAL COMBINATIONS ASTEX THERAPEUTICS LIMITED (GB) 2011-05-05 — — US disclosed
US-20110046155-A1 HYDROBENZAMIDE DERIVATIVES AS INHIBITORS OF HSP90 ASTEX THERAPEUTICS LTD. (GB) 2011-02-24 — — US disclosed
US-20100286167-A1 DIHYDROXYPHENYL ISOINDOLYLMETHANONES ASTEX THERAPEUTICS LTD. (GB) 2010-11-11 — — 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 (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-20100286167-A1 DIHYDROXYPHENYL ISOINDOLYLMETHANONES HSP90AA1, HSP90AB1, HSP90AB2P MCL1 23/4885RXRA 1384/4885RXRB 1822/4885
US-20110046155-A1 HYDROBENZAMIDE DERIVATIVES AS INHIBITORS OF HSP90 HSP90AB1, HSP90AA1, HSP90AB2P MCL1 552/4885RXRA 4262/4885RXRB 3885/4885
US-20140221394-A1 HYDROBENZAMIDE DERIVATIVES AS INHIBITORS OF HSP90 HSP90AB1, HSP90AA1, HSP90AB2P MCL1 585/4885RXRA 4125/4885RXRB 3657/4885
US-20160193200-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS HSP90 INHIBTORS HSP90AB1, HSP90AA1, HSP90AB2P MCL1 1364/4885RXRA 3401/4885RXRB 3531/4885
US-20130143926-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS HSP90 INHIBTORS HSP90AB1, HSP90AA1, HSP90AB2P MCL1 1364/4885RXRA 3401/4885RXRB 3531/4885
US-20150045362-A1 Hydroxybenzamide Derivatives And Their Use As Inhibitors Of HSP90 HSP90AB1, HSP90AB2P, HSP90AA1 MCL1 2540/4885RXRA 2084/4885RXRB 1515/4885
US-20110105501-A1 PHARMACEUTICAL COMBINATIONS GSK3B, CDK1, GSK3A MCL1 1953/4885RXRA 3904/4885RXRB 3647/4885
US-20120251545-A1 Therapeutic Combinations Of Hydroxybenzamide Derivatives As Inhibitors Of HSP90 HSP90AB1, HSP90AB2P, HSP90AA1 MCL1 918/4885RXRA 294/4885RXRB 151/4885

“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.