SCHEMBL18032995

SCHEMBL18032995

COc1cc(C(=O)O)cc2cc[nH]c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.53
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
CA4 P22748 2/20 0.53
CA6 P23280 2/20 0.53
CA7 P43166 2/20 0.53
CA9 Q16790 2/20 0.53
CA14 Q9ULX7 2/20 0.53
PKM P14618 2/20 0.53
CA3 P07451 1/20 0.53
CA5A P35218 1/20 0.53
CA5B Q9Y2D0 1/20 0.53
TPMT P51580 2/20 0.51
TUBB4A P04350 1/20 0.50
TUBB P07437 1/20 0.50
TUBA3C P0DPH7 1/20 0.50
TUBA1B P68363 1/20 0.50
TUBA4A P68366 1/20 0.50
TUBB4B P68371 1/20 0.50
TUBB3 Q13509 1/20 0.50

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
SCHEMBL18031228 0.85 CYP3A4 (0.50) CA12CA1CA2CA7CA9
SCHEMBL18033043 0.81 KDM4E (0.41) CA12CA1CA2CA4CA6
SCHEMBL7926770 0.79 HSD17B10 (0.47) TPMTTSHRKDM4EHPGDALDH1A1
SCHEMBL28209296 0.78 MEN1 (0.52)
SCHEMBL18031515 0.78 P2RX7 (0.43) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8919196 0.78 CA12 (0.50) CA12CA1CA2CA4CA6
SCHEMBL15683163 0.76 KDM4E (0.47) TPMTTSHRKDM4EHPGDALDH1A1
SCHEMBL121721 0.76 CYP2D6 (0.50) HTTKDM4EHPGDALDH1A1ENPP2
SCHEMBL15971144 0.76 KDM4E (0.47) TPMTTSHRKDM4EHPGDALDH1A1
SCHEMBL15971548 0.75 CA12 (0.51) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240109915-A1 NOVEL ACC INHIBITORS PFIZER INC. (US) 2024-04-04 US disclosed
US-10358453-B2 Antiviral compounds ALIOS BIOPHARMA, INC. (US) 2019-07-23 US disclosed
WO-2016138158-A1 ANTIVIRAL COMPOUNDS ALIOS BIOPHARMA, INC. (US) 2016-09-01 WO disclosed
US-20160244460-A1 ANTIVIRAL COMPOUNDS Janssen Pharmaceuticals, Inc. 2016-08-25 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 (3 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-10358453-B2 Antiviral compounds MAVS, SARS1, ZC3HAV1 CA12 4108/4885CA1 4791/4885CA2 3830/4885
US-20160244460-A1 ANTIVIRAL COMPOUNDS MAVS, SARS1, ZC3HAV1 CA12 4108/4885CA1 4791/4885CA2 3830/4885
US-20240109915-A1 NOVEL ACC INHIBITORS CBR3, NAT1, ACACB CA12 1526/4885CA1 765/4885CA2 269/4885

“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.