SCHEMBL7820973

SCHEMBL7820973

COc1ccc(C(=O)C(=O)O)cc1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.59
RAB9A P51151 1/20 0.59
KMT2A Q03164 1/20 0.59
TUBB4A P04350 2/20 0.58
TUBB P07437 2/20 0.58
TUBA3C P0DPH7 2/20 0.58
TUBA1B P68363 2/20 0.58
TUBA4A P68366 2/20 0.58
TUBB4B P68371 2/20 0.58
TUBB3 Q13509 2/20 0.58
TUBB2A Q13885 2/20 0.58
TUBB8 Q3ZCM7 2/20 0.58
TUBA3E Q6PEY2 2/20 0.58
TUBA1A Q71U36 2/20 0.58
TUBA1C Q9BQE3 2/20 0.58
TUBB6 Q9BUF5 2/20 0.58
TUBB2B Q9BVA1 2/20 0.58
TUBB1 Q9H4B7 2/20 0.58
HTT P42858 1/20 0.53
RECQL P46063 1/20 0.53

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
SCHEMBL760262 0.85 MEN1 (0.82) MEN1RAB9AKMT2AHTTGAA
SCHEMBL30921173 0.85 MEN1 (0.82) MEN1RAB9AKMT2AHTTGAA
SCHEMBL3230564 0.85 MEN1 (0.59) MEN1RAB9AKMT2ATUBB4ATUBB
SCHEMBL339242 0.85 CA12 (0.71) MEN1RAB9AKMT2AHTTGAA
Isovanillic Acid SCHEMBL180473 0.85 HTT (0.72) RAB9ATUBB4ATUBBTUBA3CTUBA1B
Isovanillic Acid SCHEMBL29883459 0.85 HTT (0.72) RAB9ATUBB4ATUBBTUBA3CTUBA1B
Isovanillic Acid SCHEMBL4450461 0.83 HTT (0.70) RAB9ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL27468173 0.83 CA12 (0.69) MEN1RAB9AKMT2AGAACA12
SCHEMBL27575811 0.82 TUBB4A (0.80) MEN1RAB9AKMT2ATUBB4ATUBB
SCHEMBL28568628 0.82 TUBB4A (0.55) MEN1RAB9AKMT2ATUBB4ATUBB

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-20210188914-A1 HYBRID CYCLIC LIBRARIES AND SCREENS THEREOF THE JOHNS HOPKINS UNIVERSITY 2021-06-24 US disclosed
US-10954273-B2 Hybrid cyclic libraries and screens thereof THE JOHNS HOPKINS UNIVERSITY (US) 2021-03-23 US disclosed
US-20190389911-A1 HYBRID CYCLIC LIBRARIES AND SCREENS THEREOF THE JOHNS HOPKINS UNIVERSITY 2019-12-26 US disclosed
US-10414801-B2 Hybrid cyclic libraries and screens thereof THE JOHNS HOPKINS UNIVERSITY (US) 2019-09-17 US disclosed
US-20180222942-A1 HYBRID CYCLIC LIBRARIES AND SCREENS THEREOF THE JOHNS HOPKINS UNIVERSITY 2018-08-09 US disclosed
US-20180222942-A1 HYBRID CYCLIC LIBRARIES AND SCREENS THEREOF THE JOHNS HOPKINS UNIVERSITY 2018-08-09 US disclosed
US-9783577-B2 Hybrid cyclic libraries and screens thereof THE JOHNS HOPKINS UNIVERSITY (US) 2017-10-10 US disclosed
US-9783577-B2 Hybrid cyclic libraries and screens thereof THE JOHNS HOPKINS UNIVERSITY (US) 2017-10-10 US disclosed
US-20160115203-A1 HYBRID CYCLIC LIBRARIES AND SCREENS THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-04-28 US disclosed
US-20160115203-A1 HYBRID CYCLIC LIBRARIES AND SCREENS THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-04-28 US disclosed
US-9250237-B2 Hybrid cyclic libraries and screens thereof THE JOHNS HOPKINS UNIVERSITY (US) 2016-02-02 US disclosed
US-9250237-B2 Hybrid cyclic libraries and screens thereof THE JOHNS HOPKINS UNIVERSITY (US) 2016-02-02 US disclosed
US-20140073581-A1 Hybrid Cyclic Libraries and Screens Thereof THE JOHNS HOPKINS UNIVERSITY 2014-03-13 US disclosed
US-20140073581-A1 Hybrid Cyclic Libraries and Screens Thereof THE JOHNS HOPKINS UNIVERSITY 2014-03-13 US disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 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-20140073581-A1 Hybrid Cyclic Libraries and Screens Thereof CACYBP, HSPBP1, PEBP1 MEN1 2998/4885RAB9A 2030/4885KMT2A 4734/4885
US-10414801-B2 Hybrid cyclic libraries and screens thereof CACYBP, HSPBP1, PEBP1 MEN1 2998/4885RAB9A 2030/4885KMT2A 4734/4885
US-10954273-B2 Hybrid cyclic libraries and screens thereof CACYBP, HSPBP1, PEBP1 MEN1 2998/4885RAB9A 2030/4885KMT2A 4734/4885
US-20190389911-A1 HYBRID CYCLIC LIBRARIES AND SCREENS THEREOF CACYBP, HSPBP1, PEBP1 MEN1 2998/4885RAB9A 2030/4885KMT2A 4734/4885
US-20210188914-A1 HYBRID CYCLIC LIBRARIES AND SCREENS THEREOF CACYBP, HSPBP1, PEBP1 MEN1 2998/4885RAB9A 2030/4885KMT2A 4734/4885
US-20180222942-A1 HYBRID CYCLIC LIBRARIES AND SCREENS THEREOF CACYBP, HSPBP1, PEBP1 MEN1 2998/4885RAB9A 2030/4885KMT2A 4734/4885
US-20160115203-A1 HYBRID CYCLIC LIBRARIES AND SCREENS THEREOF CACYBP, HSPBP1, PEBP1 MEN1 2998/4885RAB9A 2030/4885KMT2A 4734/4885

“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.