SCHEMBL5023752

SCHEMBL5023752

CC(C)c1ccc(N(C)C(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.39
ALDH1A1 P00352 3/20 0.38
S1PR1 P21453 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PYCR1 P32322 1/20 0.37
HTT P42858 1/20 0.37
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
EGFR P00533 1/20 0.36
ERBB2 P04626 1/20 0.36
TSHR P16473 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
IDO1 P14902 2/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MGLL Q99685 1/20 0.34

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
SCHEMBL5301480 0.80 ALDH1A1 (0.47) ALDH1A1LMNAHPGDTSHRNPSR1
SCHEMBL24300151 0.80 ALDH1A1 (0.56) ALDH1A1LMNACYP2C9TSHRALOX15
SCHEMBL15148197 0.79 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2HPGDTSHRALOX15
SCHEMBL27269817 0.79 TYR (0.42) TYRALDH1A1S1PR1LMNASMN1; SMN2
SCHEMBL5431004 0.79 DHFR (0.46) TYRALDH1A1S1PR1LMNASMN1; SMN2
SCHEMBL346292 0.79 ALDH1A1 (0.61) TYRALDH1A1SMN1; SMN2HPGDTSHR
SCHEMBL18627679 0.79 IDO1 (0.43) TYRALDH1A1LMNASMN1; SMN2PYCR1
Hydrochloric Acid SCHEMBL15018375 0.78 ALDH1A1 (0.54) ALDH1A1LMNACYP2C9TSHRALOX15
Hydrochloric Acid SCHEMBL2861214 0.77 ALDH1A1 (0.58) TYRALDH1A1LMNASMN1; SMN2TSHR
SCHEMBL12204911 0.77 ALDH1A1 (0.55) ALDH1A1LMNAHTTHPGDTSHR

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-20230174470-A1 COMPOUND AS A UBR BOX DOMAIN LIGAND AUTOTAC INC. (KR) 2023-06-08 US disclosed
US-20230028318-A1 FLUOROGENIC AMINO ACIDS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-01-26 US disclosed
US-20210040058-A1 ACID-LABILE SURFACTANTS PROMEGA CORPORATION 2021-02-11 US disclosed
US-20200181101-A1 BENZAMIDE INHIBITORS OF BACTERIAL LIPOPROTEIN SIGNAL PEPTIDASE SCRIPPS RESEARCH INST (US) 2020-06-11 US disclosed
US-10208000-B2 Eis inhibitors UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2019-02-19 US disclosed
US-20170174639-A1 EIS INHIBITORS UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2017-06-22 US disclosed
US-8178490-B2 Polybasic bacterial efflux pump inhibitors and therapeutic uses thereof REMPEX PHARMACEUTICALS, INC. (US) 2012-05-15 US disclosed
US-20100152098-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2010-06-17 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 (6 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-20170174639-A1 EIS INHIBITORS ABCC1, ATP5ME, ABCG2 TYR 3680/4885ALDH1A1 819/4885S1PR1 3659/4885
US-20200181101-A1 BENZAMIDE INHIBITORS OF BACTERIAL LIPOPROTEIN SIGNAL PEPTIDASE LPL, LIPE, LYPLA2 TYR 3758/4885ALDH1A1 3104/4885S1PR1 2679/4885
US-20100152098-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF ABCB11, ABCB1, SLC47A1 TYR 4753/4885ALDH1A1 4062/4885S1PR1 3764/4885
US-20230174470-A1 COMPOUND AS A UBR BOX DOMAIN LIGAND UBR4, UBQLN2, UBTF TYR 3973/4885ALDH1A1 2317/4885S1PR1 3777/4885
US-20210040058-A1 ACID-LABILE SURFACTANTS SMURF1, S100A6, SPAST TYR 4737/4885ALDH1A1 4483/4885S1PR1 1084/4885
US-10208000-B2 Eis inhibitors ABCC1, ATP5ME, ABCG2 TYR 3680/4885ALDH1A1 819/4885S1PR1 3659/4885

“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.