SCHEMBL4317430

SCHEMBL4317430

N[C@@H]1C(C(=O)O)=CC=C[C@H]1O

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
THRB P10828 1/20 0.40
BLM P54132 1/20 0.40
PMP22 Q01453 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL4592491 1.00 TSHR (0.41) TSHRMAPK1HSD17B10TDP1THRB
SCHEMBL1970857 0.78 TSHR (0.35) TSHRMAPK1HSD17B10TDP1THRB
SCHEMBL638361 0.78 TSHR (0.35) TSHRMAPK1HSD17B10TDP1THRB
SCHEMBL13621985 0.78 TSHR (0.35) TSHRMAPK1HSD17B10TDP1THRB
SCHEMBL24008838 0.78 TDP1 (0.40) TSHRMAPK1HSD17B10TDP1THRB
SCHEMBL5712812 0.71 TSHR (0.34) TSHRMAPK1HSD17B10TDP1THRB
SCHEMBL13997699 0.70 TSHR (0.34) TSHRMAPK1HSD17B10TDP1THRB
SCHEMBL27704000 0.69 TSHR (0.38) TSHRMAPK1HSD17B10TDP1THRB
SCHEMBL12263601 0.67
SCHEMBL11303577 0.67 TSHR (0.33) TSHRMAPK1HSD17B10TDP1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106754590-A Engineering strain and application thereof for producing DHHA 上海交通大学 2017-05-31 CN disclosed
CN-106010999-A Gene engineering strain, culturing method and application of gene engineering strain 上海交通大学 2016-10-12 CN disclosed
CN-106010999-A Gene engineering strain, culturing method and application of gene engineering strain 上海交通大学 2016-10-12 CN disclosed
EP-2084519-A2 ADVANCED DRUG DEVELOPMENT AND MANUFACTURING Los Alamos National Security, LLC (US) 2009-08-05 EP disclosed
US-20080311631-A1 Biosynthetic Production of 4-Amino 4-Deoxychorismate (Adc) and [3R,4R]-4-Amino-3-Hydroxycyclohexa-1,5-Diene-1-Carboxylic Acid (3,4-Cha) DSM IP ASSETS B. V. (NL) 2008-12-18 US disclosed
WO-2008127291-A2 ADVANCED DRUG DEVELOPMENT AND MANUFACTURING LOS ALAMOS NATIONAL SECURITY, LLC (US) 2008-10-23 WO disclosed
EP-1888760-A1 BIOSYNTHETIC PRODUCTION OF (5S,6S)-6-AMINO-5-HYDROXYCYCLOHEXA-1,3-DIENE-1-CARBOXYLIC ACID (2,3-CHA) DSM IP ASSETS B.V. (NL) 2008-02-20 EP disclosed
EP-1751297-A2 BIOSYNTHETIC PRODUCTION OF 4-AMINO-4-DEOXYCHORISMATE (ADC) AND [3,4R]-4-AMINO-3-HYDROXYCYCLOHEXA-1,5-DIENE-1-CARBOXYLIC ACID (3,4-CHA) DSMIP Assets B.V. (NL) 2007-02-14 EP disclosed
WO-2006128706-A1 BIOSYNTHETIC PRODUCTION OF (5S,6S)-6-AMINO-5-HYDROXYCYCLOHEXA-1,3-DIENE-1-CARBOXYLIC ACID (2,3-CHA) DSM IP ASSETS B.V. (NL) 2006-12-07 WO disclosed
EP-1728872-A1 Biosynthetic production of (5S,6S)-6-amino-5-hydroxycyclohexa-1,3-diene-1-carboxylic acid (2,3-CHA) DSM IP Assets B.V. (NL) 2006-12-06 EP disclosed
WO-2005118829-A2 BIOSYNTHETIC PRODUCTION OF 4-AMINO-4-DEOXYCHORISMATE (ADC) AND [3R,4R]-4-AMINO-3-HYDROXYCYCLOHEXA-1,5-DIENE-1-CARBOXYLIC ACID (3,4-CHA) DSM IP ASSETS B.V. (NL) 2005-12-15 WO disclosed
EP-1602730-A2 Biosynthetic production of 4-amino-4-deoxychorismate (ADC) and [3R,4R]-4-amino-3-hydroxycyclohexa-1,5-diene-1-carboxylic acid (3,4-CHA) DSM IP Assets B.V. (NL) 2005-12-07 EP 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 (1 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-20080311631-A1 Biosynthetic Production of 4-Amino 4-Deoxychorismate (Adc) and [3R,4R]-4-Amino-3-Hydroxycyclohexa-1,5-Diene-1-Carboxylic Acid (3,4-Cha) HPD, DHPS, PGD TSHR 2974/4885MAPK1 3910/4885HSD17B10 47/4885

“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.