SCHEMBL2707035

SCHEMBL2707035

CC(C)(C)c1ccc2occ(C(C)(C)C)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PON1 P27169 1/20 0.41
▸ HPGD P15428 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ KIF11 P52732 3/20 0.37
▸ ALDH1A1 P00352 4/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ NR1I2 O75469 1/20 0.34
▸ MAPT P10636 2/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CLK1 P49759 1/20 0.33
▸ CLK2 P49760 1/20 0.33
▸ CLK3 P49761 1/20 0.33
▸ DYRK1A Q13627 1/20 0.33

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
SCHEMBL2704179 0.85 HPGD (0.43) PON1HPGDPOLBKIF11ALDH1A1
SCHEMBL13561307 0.81 PON1 (0.41) PON1HPGDPOLBKIF11ALDH1A1
SCHEMBL23405763 0.79 PON1 (0.40) PON1HPGDKIF11ALDH1A1ALOX15
SCHEMBL25396964 0.79 PON1 (0.40) PON1HPGDKIF11ALDH1A1ALOX15
SCHEMBL22815334 0.79 PON1 (0.43) PON1HPGDKIF11ALDH1A1ALOX15
SCHEMBL24779278 0.79 ALDH1A1 (0.44) PON1HPGDPOLBKIF11ALDH1A1
SCHEMBL23405765 0.79 PON1 (0.40) PON1HPGDPOLBKIF11ALDH1A1
SCHEMBL13437134 0.79 PTPN1 (0.46) HPGDPOLBKDM4EKMT2A
SCHEMBL28501238 0.79 ALDH1A1 (0.47) HPGDPOLBALDH1A1ALOX15HSD17B10
SCHEMBL20932786 0.79 CYP26B1 (0.37) HPGDPOLBALOX15CLK1CLK2

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-9475783-B2 Antimicrobial agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-10-25 — — US disclosed
US-20150191420-A1 ANTIBACTERIAL AGENTS TAXIS PHARMACEUTICALS, INC. 2015-07-09 — — US disclosed
US-20150031694-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2015-01-29 — — US disclosed
US-8865736-B2 Antibacterial agents Biota Scientific Pty Ltd (AU) 2014-10-21 — — US disclosed
US-20130072520-A2 ANTIBACTERIAL AGENTS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2013-03-21 — — US disclosed
US-20120122918-A1 ANTIBACTERIAL AGENTS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2012-05-17 — — US disclosed
US-8088791-B2 Antibacterial agents Biots Scientific Management Pty Ltd (AU) 2012-01-03 — — US disclosed
US-20100173933-A1 ANTIBACTERIAL AGENTS PROLYSIS LTD (GB) 2010-07-08 — — 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 (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-20120122918-A1 ANTIBACTERIAL AGENTS ALK, ROS1, ARG1 PON1 2154/4885HPGD 4263/4885POLB 445/4885
US-20130072520-A2 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 PON1 1765/4885HPGD 3468/4885POLB 364/4885
US-20150031694-A1 ANTIMICROBIAL AGENTS CFTR, MRPL21, ABCB11 PON1 2301/4885HPGD 3536/4885POLB 3294/4885
US-20150191420-A1 ANTIBACTERIAL AGENTS ALK, ARG1, ROS1 PON1 1983/4885HPGD 3902/4885POLB 435/4885
US-20100173933-A1 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 PON1 1765/4885HPGD 3468/4885POLB 364/4885

“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.

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