SCHEMBL9952051

SCHEMBL9952051

COc1cc(C(=O)O)ccc1CCO

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.61
CA1 P00915 2/20 0.61
CA2 P00918 2/20 0.61
CA4 P22748 2/20 0.61
CA6 P23280 2/20 0.61
CA7 P43166 2/20 0.61
CA9 Q16790 2/20 0.61
CA14 Q9ULX7 2/20 0.61
TPMT P51580 1/20 0.61
HTT P42858 2/20 0.57
TSHR P16473 3/20 0.55
LMNA P02545 2/20 0.51
RAB9A P51151 2/20 0.51
MAPK1 P28482 1/20 0.51
TTR P02766 2/20 0.50
PKM P14618 2/20 0.49
CA3 P07451 1/20 0.49
CA5A P35218 1/20 0.49
CA5B Q9Y2D0 1/20 0.49
MRGPRX4 Q96LA9 1/20 0.47

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
SCHEMBL16533333 0.90 CA12 (0.57) CA12CA1CA2CA4CA6
SCHEMBL2424457 0.86 CA12 (0.65) CA12CA1CA2CA4CA6
SCHEMBL28016859 0.85 MAPK1 (0.56) CA12CA1CA2CA4CA6
SCHEMBL16533335 0.85 NPC1 (0.56) CA12CA1CA2CA7CA9
SCHEMBL25219692 0.85 CA12 (0.59) CA12CA1CA2CA4CA6
SCHEMBL15573768 0.85 CA12 (0.59) CA12CA1CA2CA4CA6
SCHEMBL9182373 0.85 HTT (0.60) CA12CA1CA2CA4CA6
SCHEMBL6859656 0.84 CA12 (0.67) CA12CA1CA2CA4CA6
SCHEMBL2592749 0.84 CA12 (0.67) CA12CA1CA2CA4CA6
Hydrochloric Acid SCHEMBL12499873 0.84 HTT (0.58) CA12CA1CA2CA4CA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11021444-B2 Antiviral compounds Janssen Biopharma, Inc. (US) 2021-06-01 US disclosed
US-20190263754-A1 ANTIVIRAL COMPOUNDS ALIOS BIOPHARMA, INC. (US) 2019-08-29 US disclosed
US-20180065932-A1 ANTIVIRAL COMPOUNDS ALIOS BIOPHARMA, INC. 2018-03-08 US disclosed
US-20180065932-A1 ANTIVIRAL COMPOUNDS ALIOS BIOPHARMA, INC. 2018-03-08 US disclosed
US-20150065504-A1 ANTIVIRAL COMPOUNDS ALIOS BIOPHARMA, INC. 2015-03-05 US disclosed
US-20150065504-A1 ANTIVIRAL COMPOUNDS ALIOS BIOPHARMA, INC. 2015-03-05 US disclosed
WO-2015026792-A1 ANTIVIRAL COMPOUNDS ALIOS BIOPHARMA, INC. (US) 2015-02-26 WO disclosed
WO-2012085935-A2 COMPOUNDS AS INHIBITORS OF RENIN CADILA HEALTHCARE LIMITED (IN) 2012-06-28 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 (4 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-20190263754-A1 ANTIVIRAL COMPOUNDS MAVS, SARS1, ZC3HAV1 CA12 4108/4885CA1 4791/4885CA2 3830/4885
US-11021444-B2 Antiviral compounds MAVS, SARS1, ZC3HAV1 CA12 4108/4885CA1 4791/4885CA2 3830/4885
US-20180065932-A1 ANTIVIRAL COMPOUNDS MAVS, SARS1, ZC3HAV1 CA12 4108/4885CA1 4791/4885CA2 3830/4885
US-20150065504-A1 ANTIVIRAL COMPOUNDS MAVS, SARS1, ZC3HAV1 CA12 4108/4885CA1 4791/4885CA2 3830/4885

“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.