SCHEMBL187994

SCHEMBL187994

Oc1ccc([C](I)I)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.53
LMNA P02545 5/20 0.53
HSD17B10 Q99714 4/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
CA1 P00915 3/20 0.53
CA2 P00918 3/20 0.53
CYP3A4 P08684 3/20 0.53
ALOX15 P16050 3/20 0.53
HIF1A Q16665 3/20 0.53
HPGD P15428 2/20 0.53
CA12 O43570 2/20 0.53
CA3 P07451 2/20 0.53
TYR P14679 2/20 0.53
CA4 P22748 2/20 0.53
CA5A P35218 2/20 0.53
CA9 Q16790 2/20 0.53
CA14 Q9ULX7 2/20 0.53
CA5B Q9Y2D0 2/20 0.53
ALDH1A1 P00352 2/20 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
SCHEMBL13351348 0.78 MAPT (0.63) MAPTLMNAHSD17B10MEN1KMT2A
Hydroquinone SCHEMBL15516 0.73
Hydroquinone SCHEMBL11511669 0.73 ALOX15 (1.00) MAPTLMNAHSD17B10MEN1KMT2A
Hydroquinone SCHEMBL460669 0.73 ALOX15 (1.00) MAPTLMNAHSD17B10MEN1KMT2A
SCHEMBL5341263 0.72 MAPT (0.61) MAPTLMNAHSD17B10MEN1KMT2A
SCHEMBL70814 0.72 MEN1 (0.67) MAPTLMNAHSD17B10MEN1KMT2A
SCHEMBL8218963 0.71 ALDH1A1 (0.52) MAPTLMNAMEN1KMT2AHPGD
SCHEMBL4840434 0.69
SCHEMBL14098710 0.69 ESR1 (0.62) MAPTLMNAHSD17B10MEN1KMT2A
Hydroquinone SCHEMBL9857917 0.69 ALOX15 (0.89) MAPTLMNAHSD17B10MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1928881-A2 PRODRUGS OF ACTIVE AGENTS Pharmacofore, Inc. (US) 2008-06-11 EP claimed
US-20070123468-A1 Prodrugs of active agents PHARMACOFORE, INC. 2007-05-31 US claimed
WO-2007022535-A2 PRODRUGS OF ACTIVE AGENTS PHARMACOFORE, INC. (US) 2007-02-22 WO claimed
EP-2402037-B1 CONTROLLED RELEASE OF PHENOLIC OPIOIDS SIGNATURE THERAPEUTICS INC (US) 2019-10-23 EP disclosed
US-20150148284-A1 Controlled Release of Phenolic Opioids PHARMACOFORE, INC. 2015-05-28 US disclosed
US-8921418-B2 Controlled release of phenolic opioids SIGNATURE THERAPEUTICS, INC. (US) 2014-12-30 US disclosed
EP-2046393-B1 CONTROLLED RELEASE OF PHENOLIC OPIOIDS SIGNATURE THERAPEUTICS INC (US) 2014-02-12 EP disclosed
US-20120270894-A1 Controlled Release of Phenolic Opioids 3I, LP 2012-10-25 US disclosed
US-8217005-B2 Controlled release of phenolic opioids SIGNATURE THERAPEUTICS, INC. (US) 2012-07-10 US disclosed
US-20120142718-A1 N-17-Alkylated Prodrugs of Opioids SIGNATURE THERAPEUTICS, INC. 2012-06-07 US disclosed
US-8163701-B2 Prodrugs of active agents SIGNATURE THERAPEUTICS, INC. (US) 2012-04-24 US disclosed
EP-2402037-A1 Controlled release of phenolic opioids Pharmacofore, Inc. (US) 2012-01-04 EP disclosed
US-20100035826-A1 CONTROLLED RELEASE OF PHENOLIC OPIOIDS Phamacofoce, Inc. (CA) 2010-02-11 US disclosed
EP-2046393-A2 CONTROLLED RELEASE OF PHENOLIC OPIOIDS Pharmacofore, Inc. (US) 2009-04-15 EP disclosed
WO-2008101202-A1 N-17-ALKYLATED PRODRUGS OF OPIOIDS PHARMACOFORE, INC. (US) 2008-08-21 WO disclosed
EP-1928881-A2 PRODRUGS OF ACTIVE AGENTS Pharmacofore, Inc. (US) 2008-06-11 EP disclosed
WO-2007140272-A2 CONTROLLED RELEASE OF PHENOLIC OPIOIDS PHARMACOFORE, INC. (US) 2007-12-06 WO disclosed
US-20070123468-A1 Prodrugs of active agents PHARMACOFORE, INC. 2007-05-31 US disclosed
WO-2007022535-A2 PRODRUGS OF ACTIVE AGENTS PHARMACOFORE, INC. (US) 2007-02-22 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 (5 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-20120270894-A1 Controlled Release of Phenolic Opioids OPRK1, OPRM1, OPRD1 MAPT 2521/4885LMNA 4070/4885HSD17B10 804/4885
US-20150148284-A1 Controlled Release of Phenolic Opioids OPRK1, OPRM1, OPRD1 MAPT 2521/4885LMNA 4070/4885HSD17B10 804/4885
US-20100035826-A1 CONTROLLED RELEASE OF PHENOLIC OPIOIDS OPRK1, OPRM1, OPRD1 MAPT 2521/4885LMNA 4070/4885HSD17B10 804/4885
US-20120142718-A1 N-17-Alkylated Prodrugs of Opioids OPRM1, OPRD1, OPRL1 MAPT 3236/4885LMNA 2758/4885HSD17B10 818/4885
US-20070123468-A1 Prodrugs of active agents PAICS, AADAC, NQO1 MAPT 3235/4885LMNA 3548/4885HSD17B10 2119/4885

“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.