SCHEMBL782659

SCHEMBL782659

O=C(C=Cc1c(Cl)cccc1Cl)CCN1CCOCC1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.64
POLB P06746 2/20 0.52
RAB9A P51151 1/20 0.52
CYP2C19 P33261 2/20 0.51
CYP3A4 P08684 1/20 0.51
LMNA P02545 2/20 0.49
ALDH1A1 P00352 4/20 0.49
MAPT P10636 3/20 0.49
KMT2A Q03164 3/20 0.49
CYP2A13 Q16696 1/20 0.46
KEAP1 Q14145 2/20 0.45
NFE2L2 Q16236 2/20 0.45
S1PR5 Q9H228 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL782658 1.00 HSP90AA1 (0.64) HSP90AA1POLBRAB9ACYP2C19CYP3A4
Hydrochloric Acid SCHEMBL11119939 0.99 HSP90AA1 (0.67) HSP90AA1POLBRAB9ACYP2C19CYP3A4
Hydrochloric Acid SCHEMBL11119937 0.99 HSP90AA1 (0.67) HSP90AA1POLBRAB9ACYP2C19CYP3A4
SCHEMBL780338 0.80 HSP90AA1 (0.74) HSP90AA1RAB9ALMNAALDH1A1MAPT
SCHEMBL780339 0.80 HSP90AA1 (0.74) HSP90AA1RAB9ALMNAALDH1A1MAPT
SCHEMBL782304 0.80 HSP90AA1 (0.97) HSP90AA1RAB9ACYP2C19LMNAALDH1A1
SCHEMBL782305 0.80 HSP90AA1 (0.97) HSP90AA1RAB9ACYP2C19LMNAALDH1A1
SCHEMBL780480 0.80 HSP90AA1 (0.65) HSP90AA1RAB9ALMNAALDH1A1MAPT
SCHEMBL780481 0.80 HSP90AA1 (0.65) HSP90AA1RAB9ALMNAALDH1A1MAPT
Hydrochloric Acid SCHEMBL11121413 0.79 HSP90AA1 (0.76) HSP90AA1RAB9ALMNAALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250041255-A1 COMPOSITIONS AND METHODS FOR TREATING AUTOIMMUNE SKIN DISEASES YALE UNIVERSITY 2025-02-06 US disclosed
US-10881656-B2 HIF inhibitors and use thereof THE GENERAL HOSPITAL CORPORATION (US) 2021-01-05 US disclosed
US-20170157111-A1 HIF INHIBITORS AND USE THEREOF THE GENERAL HOSPITAL CORPORATION (US) 2017-06-08 US disclosed
US-9604958-B2 HIF inhibitors and use thereof THE GENERAL HOSPITAL CORPORATION (US) 2017-03-28 US disclosed
US-20150023868-A1 HIF INHIBITORS AND USE THEREOF THE GENERAL HOSPITAL CORPORATION (US) 2015-01-22 US disclosed
US-20120070369-A1 HIF INHIBITORS AND USE THEREOF THE GENERAL HOSPITAL CORPORATION (US) 2012-03-22 US disclosed
WO-2010068794-A2 HIF INHIBITORS AND USE THEREOF THE GENERAL HOSPITAL CORPORATION (US) 2010-06-17 WO disclosed
EP-0043141-B1 PHARMACEUTICAL COMPOSITIONS HAVING ANTIVIRAL ACTIVITY FOR TOPICAL ADMINISTRATION AND THE USE OF 1-(SUBSTITUTED PHENYL)-5-(4-MORPHOLINYL)-1-PENTEN-3-ONE COMPOUNDS FOR THE PREPARATION OF PHARMACEUTICAL COMPOSITIONS HAVING AN ANTIVIRAL EFFECT MERRELL DOW PHARMACEUTICALS INC. (US) 1984-09-12 EP disclosed
US-4400380-A HERBES VIRUS; TOPICAL MERRELL DOW PHARMACEUTICALS INC. (US) 1983-08-23 US disclosed
EP-0043141-A1 Pharmaceutical compositions having antiviral activity for topical administration and the use of 1-(substituted phenyl)-5-(4-morpholinyl)-1-penten-3-one compounds for the preparation of pharmaceutical compositions having an antiviral effect MERRELL DOW PHARMACEUTICALS INC. (US) 1982-01-06 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 (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-10881656-B2 HIF inhibitors and use thereof HIF1AN, HIF1A, EGLN3 HSP90AA1 110/4885POLB 2401/4885RAB9A 4101/4885
US-20120070369-A1 HIF INHIBITORS AND USE THEREOF HIF1AN, HIF1A, EGLN3 HSP90AA1 110/4885POLB 2401/4885RAB9A 4101/4885
US-20150023868-A1 HIF INHIBITORS AND USE THEREOF HIF1AN, HIF1A, EGLN3 HSP90AA1 110/4885POLB 2401/4885RAB9A 4101/4885
US-20250041255-A1 COMPOSITIONS AND METHODS FOR TREATING AUTOIMMUNE SKIN DISEASES HIF1AN, HIF1A, SSB HSP90AA1 918/4885POLB 873/4885RAB9A 3489/4885
US-20170157111-A1 HIF INHIBITORS AND USE THEREOF HIF1AN, HIF1A, EGLN3 HSP90AA1 110/4885POLB 2401/4885RAB9A 4101/4885

“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.