SCHEMBL6539561

SCHEMBL6539561

CC(C)COc1ccccc1C(=O)Cl

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
TSHR P16473 2/20 0.51
HTT P42858 1/20 0.50
ABCB1 P08183 6/20 0.48
CTSD P07339 1/20 0.45
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.43
HTR2C P28335 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HCRTR1 O43613 1/20 0.41

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
SCHEMBL477006 0.84 ALDH1A1 (0.59) ALDH1A1TSHRHTTABCB1KDM4E
SCHEMBL3339926 0.84 ABCB1 (0.64) ALDH1A1TSHRHTTABCB1KDM4E
SCHEMBL13763533 0.83 HTT (0.71) ALDH1A1TSHRHTTABCB1KDM4E
Benzene SCHEMBL28043964 0.83 ALDH1A1 (0.57) ALDH1A1TSHRHTTABCB1KDM4E
Bicarbonate SCHEMBL20694841 0.83 ALDH1A1 (0.57) ALDH1A1TSHRHTTABCB1KDM4E
Bicarbonate SCHEMBL236893 0.83 ALDH1A1 (0.57) ALDH1A1TSHRHTTABCB1KDM4E
SCHEMBL17799583 0.83 ALDH1A1 (0.57) ALDH1A1TSHRHTTABCB1KDM4E
Bicarbonate SCHEMBL29943829 0.83 ALDH1A1 (0.57) ALDH1A1TSHRHTTABCB1KDM4E
SCHEMBL385218 0.81 ALDH1A1 (0.54) ALDH1A1TSHRHTTLMNASMN1; SMN2
SCHEMBL17799584 0.81 HTT (0.53) ALDH1A1TSHRHTTABCB1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10723691-B2 Process for preparing salicyloyl-L-carnitine hydrochloride DRUG'ON PHARMA SWITZERLAND AG (CH) 2020-07-28 US disclosed
EP-3507271-A1 PROCESS FOR PREPARING SALICYLOYL-L-CARNITINE HYDROCHLORIDE Drug'On Pharma Switzerland AG (CH) 2019-07-10 EP disclosed
US-20190202775-A1 PROCESS FOR PREPARING SALICYLOYL-L-CARNITINE HYDROCHLORIDE DRUG'ON PHARMA SWITZERLAND AG (CH) 2019-07-04 US disclosed
US-6812235-B2 2-ACYLAMINO- BETA -ALANINE DERIVATIVES AND A PHARMACEUTICALLY ACCEPTABLE SALT, USEFUL AS FIBRINOGEN RECEPTOR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-11-02 US disclosed
CN-1423647-A Beta-alanine derivatives and their use as receptor antagonists FUJISAWA PHARMACEUTICAL CO (JP) 2003-06-11 CN disclosed
US-20030018193-A1 Beta-alanine derivatives and their use as receptor anatgonists ASTELLAS PHARMA INC. (JP) 2003-01-23 US disclosed
EP-1255748-A1 BETA-ALANINE DERIVATIVES AND THEIR USE AS RECEPTOR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-13 EP disclosed
WO-2001060813-A1 BETA-ALANINE DERIVATIVES AND THEIR USE AS RECEPTOR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-08-23 WO disclosed
US-4960943-A ACYLATING REACTION IN THE PRESENCE OF ZEOLITE CATALYSTS BAYER AKTIENGESELLSCHAFT (DE) 1990-10-02 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-20190202775-A1 PROCESS FOR PREPARING SALICYLOYL-L-CARNITINE HYDROCHLORIDE CRAT, CPT1B, MCCC2 ALDH1A1 859/4885TSHR 3640/4885HTT 2207/4885
US-20030018193-A1 Beta-alanine derivatives and their use as receptor anatgonists ARRB1, ADRB1, GLRB ALDH1A1 578/4885TSHR 689/4885HTT 3050/4885
US-10723691-B2 Process for preparing salicyloyl-L-carnitine hydrochloride CRAT, CPT1B, MCCC2 ALDH1A1 859/4885TSHR 3640/4885HTT 2207/4885

“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.