SCHEMBL7487285

SCHEMBL7487285

O=C(NCC1CCC(C(=O)O)CC1)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 4/20 0.64
HDAC4 P56524 3/20 0.64
HDAC1 Q13547 3/20 0.64
HDAC7 Q8WUI4 3/20 0.64
HDAC2 Q92769 3/20 0.64
HDAC10 Q969S8 3/20 0.64
HDAC11 Q96DB2 3/20 0.64
HDAC8 Q9BY41 3/20 0.64
HDAC6 Q9UBN7 3/20 0.64
HDAC9 Q9UKV0 3/20 0.64
HDAC5 Q9UQL6 3/20 0.64
SMN1; SMN2 Q16637 1/20 0.56
CTSL P07711 1/20 0.55
CTSB P07858 1/20 0.55
CTSK P43235 1/20 0.55
KDM4E B2RXH2 1/20 0.53
PKM P14618 1/20 0.53
HPGD P15428 1/20 0.52
MAPK14 Q16539 2/20 0.52
IDO1 P14902 1/20 0.51

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
SCHEMBL8598520 1.00 HDAC3 (0.64) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2303341 0.92 HDAC3 (0.64) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL21450578 0.89 SMN1; SMN2 (0.63) HDAC3HDAC4HDAC1HDAC7HDAC2
Benzoic Acid SCHEMBL28285625 0.87 HDAC3 (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11518102 0.85 HDAC3 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8391563 0.85 SMN1; SMN2 (0.73) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8393362 0.85 SMN1; SMN2 (0.68) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10099565 0.84 CYP1A2 (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10099589 0.84 HDAC3 (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL25123079 0.83 SMN1; SMN2 (0.76) HDAC3HDAC6SMN1; SMN2CTSLCTSB

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0080334-B1 4-(N-(HYDROXYBENZYL)AMINOMETHYL)CYCLOHEXANE-1-CARBOXYLIC ACIDS KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1984-10-17 EP claimed
EP-0080334-A1 4-(N-(hydroxybenzyl)aminomethyl)cyclohexane-1-carboxylic acids KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1983-06-01 EP claimed
US-RE30149-E OXIDATION OF 4-AMINOMETHYL-CYCLOHEXANE METHANOL AB KABI (SE) 1979-11-13 US claimed
US-8093227-B2 Monosaccharide compounds and methods therefor ALCHEMIA PTY LTD (AU) 2012-01-10 US disclosed
US-8093227-B2 Monosaccharide compounds and methods therefor ALCHEMIA PTY LTD (AU) 2012-01-10 US disclosed
US-20100184607-A1 MONOSACCHARIDE COMPOUNDS AND METHODS THEREFOR ALCHEMIA PTY LTD. (AU) 2010-07-22 US disclosed
US-20100184607-A1 MONOSACCHARIDE COMPOUNDS AND METHODS THEREFOR ALCHEMIA PTY LTD. (AU) 2010-07-22 US disclosed
US-7582280-B2 Conjugates of antioxidants with metal chelating ligands for use in diagnostic and therapeutic applications BRACCO INTERNATIONAL B.V. (NL) 2009-09-01 US disclosed
US-20080274048-A1 CONJUGATES OF ANTIOXIDANTS WITH METAL CHELATING LIGANDS FOR USE IN DIAGNOSTIC AND THERAPEUTIC APPLICATIONS BRACCO INTERNATIONAL B.V. (NL) 2008-11-06 US disclosed
US-7417129-B2 Combinatorial libraries of monosaccharides ALCHEMIA PTY LTD (AU) 2008-08-26 US disclosed
US-7417129-B2 Combinatorial libraries of monosaccharides ALCHEMIA PTY LTD (AU) 2008-08-26 US disclosed
US-7160535-B2 Conjugates of antioxidants with metal chelating ligands for use in diagnostic and therapeutic applications BRACCO INTERNATIONAL BV (NL) 2007-01-09 US disclosed
EP-1227090-A1 AMINE DERIVATIVES Tadeka Chemical Industries, Ltd. (JP) 2002-07-31 EP disclosed
EP-0585130-B1 External preparation for skin containing a depigmentation agent SHISEIDO CO LTD (JP) 1998-01-28 EP disclosed
US-5690914-A TRANEXAMIC ACID DERIVATIVES FOR DEPIGMENTATION SHISEIDO CO., LTD (JP) 1997-11-25 US disclosed
EP-0585130-A2 External preparation for skin containing a depigmentation agent SHISEIDO COMPANY LIMITED (JP) 1994-03-02 EP disclosed
EP-0080334-B1 4-(N-(HYDROXYBENZYL)AMINOMETHYL)CYCLOHEXANE-1-CARBOXYLIC ACIDS KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1984-10-17 EP disclosed
US-4464396-A 4-[N-(Hydroxybenzyl)aminomethyl]cyclohexane-1-carboxylic acid KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1984-08-07 US disclosed
EP-0080334-A1 4-(N-(hydroxybenzyl)aminomethyl)cyclohexane-1-carboxylic acids KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1983-06-01 EP disclosed
US-RE30149-E OXIDATION OF 4-AMINOMETHYL-CYCLOHEXANE METHANOL AB KABI (SE) 1979-11-13 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 (2 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-20080274048-A1 CONJUGATES OF ANTIOXIDANTS WITH METAL CHELATING LIGANDS FOR USE IN DIAGNOSTIC AND THERAPEUTIC APPLICATIONS SOD3, CAT, SOD1 HDAC3 799/4885HDAC4 2765/4885HDAC1 1438/4885
US-20100184607-A1 MONOSACCHARIDE COMPOUNDS AND METHODS THEREFOR SLC5A1, UGGT1, MRPL21 HDAC3 2450/4885HDAC4 1649/4885HDAC1 622/4885

“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.