SCHEMBL239835

SCHEMBL239835

Nc1ccc(OCC2COCO2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.51
TSHR P16473 4/20 0.49
ALDH1A1 P00352 4/20 0.49
TP53 P04637 3/20 0.49
MAPT P10636 3/20 0.49
GAA P10253 3/20 0.49
HPGD P15428 2/20 0.49
HIF1A Q16665 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
PKM P14618 2/20 0.49
CYP1A2 P05177 1/20 0.49
PPARG P37231 1/20 0.49
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.46
CYP3A4 P08684 1/20 0.46
NFE2L2 Q16236 1/20 0.38
GLA P06280 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.36
MAOA P21397 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
SCHEMBL13948475 0.88 TDP1 (0.66) TDP1TSHRALDH1A1TP53MAPT
SCHEMBL3469730 0.88 TDP1 (0.66) TDP1TSHRALDH1A1TP53MAPT
SCHEMBL11392954 0.85 TDP1 (0.50) TDP1TSHRALDH1A1TP53MAPT
SCHEMBL26640463 0.85 TDP1 (0.50) TDP1TSHRALDH1A1TP53MAPT
SCHEMBL9840041 0.83 PKM (0.61) TDP1TSHRALDH1A1TP53MAPT
SCHEMBL1667359 0.83 TDP1 (0.76) TDP1TSHRALDH1A1TP53MAPT
SCHEMBL9439703 0.81 TDP1 (0.67) TDP1TSHRALDH1A1TP53MAPT
SCHEMBL17094937 0.79 TDP1 (0.54) TDP1TSHRALDH1A1TP53MAPT
SCHEMBL7762555 0.78 ALDH1A1 (0.43) TDP1TSHRALDH1A1TP53MAPT
SCHEMBL5681759 0.78 IRAK4 (0.40) TDP1TSHRALDH1A1TP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230285378-A1 Anti-Viral Compounds ABBVIE INC. (US) 2023-09-14 US disclosed
EP-3438106-A1 ANTI-VIRAL COMPOUNDS AbbVie Ireland Unlimited Company (IE) 2019-02-06 EP disclosed
US-20190015402-A1 Anti-Viral Compounds ABBVIE INC. (US) 2019-01-17 US disclosed
US-10039754-B2 Anti-viral compounds ABBVIE INC. (US) 2018-08-07 US disclosed
US-10028937-B2 Anti-viral compounds ABBVIE INC. (US) 2018-07-24 US disclosed
US-20170157104-A1 Anti-Viral Compounds ABBVIE INC. (US) 2017-06-08 US disclosed
US-20170157105-A1 Anti-Viral Compounds ABBVIE INC. (US) 2017-06-08 US disclosed
EP-2678334-B1 ANTI-VIRAL COMPOUNDS ABBVIE BAHAMAS LTD (BS) 2017-03-22 EP disclosed
US-9586978-B2 Anti-viral compounds ABBVIE INC. (US) 2017-03-07 US disclosed
EP-2692346-B1 An antiviral 1-phenyl-2,5-dibenzimidazol-5-yl-pyrrolidine derivative ABBVIE BAHAMAS LTD (BS) 2015-12-02 EP disclosed
EP-2692726-A1 Anti-viral compounds Abbvie Inc. (US) 2014-02-05 EP disclosed
EP-2678334-A1 ANTI-VIRAL COMPOUNDS Abbvie Inc. (US) 2014-01-01 EP disclosed
EP-2627651-A1 ANTI-VIRAL COMPOUNDS Abbvie Inc. (US) 2013-08-21 EP disclosed
WO-2012177986-A2 CONJUGATE-BASED ANTIFUNGAL AND ANTIBACTERIAL PRODRUGS VYOME BIOSCIENCES (IN) 2012-12-27 WO disclosed
US-20120220562-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2012-08-30 US disclosed
WO-2012116257-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. (US) 2012-08-30 WO disclosed
WO-2012051361-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2012-04-19 WO disclosed
US-20120004196-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2012-01-05 US disclosed
US-20110207699-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2011-08-25 US disclosed
US-20110092415-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2011-04-21 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 (10 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-10028937-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS TDP1 3922/4885TSHR 4834/4885ALDH1A1 2858/4885
US-20230285378-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS TDP1 3922/4885TSHR 4834/4885ALDH1A1 2858/4885
US-20120220562-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS TDP1 3922/4885TSHR 4834/4885ALDH1A1 2858/4885
US-20170157105-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS TDP1 3922/4885TSHR 4834/4885ALDH1A1 2858/4885
US-20110092415-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS TDP1 3922/4885TSHR 4834/4885ALDH1A1 2858/4885
US-20170157104-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS TDP1 3922/4885TSHR 4834/4885ALDH1A1 2858/4885
US-20110207699-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS TDP1 3922/4885TSHR 4834/4885ALDH1A1 2858/4885
US-20190015402-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS TDP1 3922/4885TSHR 4834/4885ALDH1A1 2858/4885
US-20120004196-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS TDP1 3922/4885TSHR 4834/4885ALDH1A1 2858/4885
US-10039754-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS TDP1 3922/4885TSHR 4834/4885ALDH1A1 2858/4885

“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.