SCHEMBL544302

SCHEMBL544302

CC(=O)OC(OC(C)=O)c1ccccc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.48
GABRB2 P47870 1/20 0.48
TSHR P16473 2/20 0.44
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
THRB P10828 1/20 0.39
LMNA P02545 2/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MMP12 P39900 1/20 0.36
AKR1B1 P15121 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 2/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL9114870 0.81 ALDH1A1 (0.46) GABRA1GABRB2TSHRCA12CA1
SCHEMBL12703564 0.80 ESR1 (0.47) ALDH1A1CYP3A4MEN1KMT2ANPC1
SCHEMBL1639926 0.80 ALDH1A1 (0.41) TSHRALDH1A1CYP3A4MEN1KMT2A
SCHEMBL27918522 0.78 MEN1 (0.50) ALDH1A1CYP3A4LMNAMEN1KMT2A
SCHEMBL4185219 0.76 ALDH1A1 (0.46) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL27918545 0.76 ALDH1A1 (0.38) TSHRALDH1A1CYP3A4LMNAMEN1
SCHEMBL2114305 0.76 CSNK2A1 (0.43) CA12CA1CA2CA7CA9
SCHEMBL9414613 0.75 GABRA1 (0.40) GABRA1GABRB2TSHRCA12CA1
SCHEMBL8652236 0.74 MYC (0.38) TSHRCA1CA2CA9ALDH1A1
SCHEMBL17072796 0.74 IRAK4 (0.49) TSHRCA1CA2CA7CA9

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-5296332-A Crosslinkable aqueous developable photoresist compositions and method for use thereof INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 1994-03-22 US claimed
EP-0543761-A1 Crosslinkable aqueous developable photoresist compositions and method for use thereof International Business Machines Corporation (US) 1993-05-26 EP claimed
US-8110688-B2 Method for producing indole derivative having piperidine ring EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-02-07 US disclosed
EP-1880995-B1 METHOD FOR PRODUCING INDOLE DERIVATIVE HAVING PIPERIDINE RING EISAI R&D MAN CO LTD (JP) 2011-12-21 EP disclosed
CN-101171249-B Process for preparing indole derivatives having piperidine ring EISAI R&D MAN CO LTD 2010-11-10 CN disclosed
US-20100197926-A1 METHOD FOR PRODUCING INDOLE DERIVATIVE HAVING PIPERIDINE RING EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-05 US disclosed
CN-101171249-A Process for preparing indole derivatives having piperidine ring EISAI R&D MAN CO LTD (JP) 2008-04-30 CN disclosed
EP-1880995-A1 METHOD FOR PRODUCING INDOLE DERIVATIVE HAVING PIPERIDINE RING Eisai R&D Management Co., Ltd. (JP) 2008-01-23 EP disclosed
EP-0543762-B1 Dry developable photoresist compositions and method for use thereof IBM (US) 2000-02-16 EP disclosed
US-5322765-A Dry developable photoresist compositions and method for use thereof INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 1994-06-21 US disclosed
US-5296332-A Crosslinkable aqueous developable photoresist compositions and method for use thereof INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 1994-03-22 US disclosed
EP-0543761-A1 Crosslinkable aqueous developable photoresist compositions and method for use thereof International Business Machines Corporation (US) 1993-05-26 EP disclosed
EP-0543762-A1 Dry developable photoresist compositions and method for use thereof International Business Machines Corporation (US) 1993-05-26 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-20100197926-A1 METHOD FOR PRODUCING INDOLE DERIVATIVE HAVING PIPERIDINE RING IDO2, IDO1, TPH2 GABRA1 1164/4885GABRB2 1115/4885TSHR 3263/4885

“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.