SCHEMBL96331

SCHEMBL96331

[CH2]c1ccc(N(CC)CC)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.58
L3MBTL1 Q9Y468 3/20 0.58
TSHR P16473 3/20 0.58
GFER P55789 2/20 0.58
MAPK1 P28482 2/20 0.58
PSMD14 O00487 1/20 0.58
CYP3A4 P08684 1/20 0.58
RECQL P46063 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
ALDH3A1 P30838 1/20 0.54
ALDH1A3 P47895 1/20 0.54
KDM4E B2RXH2 3/20 0.47
GAA P10253 3/20 0.47
CNR2 P34972 1/20 0.47
TERT O14746 1/20 0.45
MEN1 O00255 7/20 0.44
KMT2A Q03164 7/20 0.44
MAPT P10636 4/20 0.44
HPGD P15428 2/20 0.44
HSP90AA1 P07900 1/20 0.44

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
SCHEMBL1735497 0.86 ALDH1A1 (0.74) ALDH1A1L3MBTL1TSHRGFERMAPK1
Formaldehyde SCHEMBL28197258 0.83 ALDH1A1 (0.65) ALDH1A1L3MBTL1TSHRGFERMAPK1
Hydrochloric Acid SCHEMBL8046146 0.83 ALDH1A1 (0.70) ALDH1A1L3MBTL1TSHRGFERMAPK1
Hydrochloric Acid SCHEMBL8046149 0.83 ALDH1A1 (0.70) ALDH1A1L3MBTL1TSHRGFERMAPK1
SCHEMBL332675 0.80 ALDH1A1 (0.67) ALDH1A1L3MBTL1TSHRGFERMAPK1
SCHEMBL1972710 0.80 ALDH1A1 (0.67) ALDH1A1L3MBTL1TSHRGFERMAPK1
SCHEMBL7589217 0.80 ALDH1A1 (0.54) ALDH1A1L3MBTL1TSHRGFERMAPK1
SCHEMBL220420 0.80 EGFR (0.41) ALDH1A1L3MBTL1TSHRGFERMAPK1
SCHEMBL8013362 0.80 TSHR (0.75) ALDH1A1L3MBTL1TSHRMAPK1TDP1
SCHEMBL7153357 0.78 ALDH1A1 (0.64) ALDH1A1L3MBTL1TSHRGFERMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220023270-A1 ANTIBACTERIAL COMPOUNDS AND USES THEREOF THE CHILDREN'S MEDICAL CENTER CORPORATION (US) 2022-01-27 US claimed
EP-2692724-B1 CHIRAL 3-HYDROXYPYRID-4-ONE DERIVATIVE, AND SYNTHESIS AND USE THEREOF UNIV ZHEJIANG (CN) 2016-03-16 EP claimed
EP-2692724-A1 CHIRAL 3-HYDROXYPYRID-4-ONE DERIVATIVE, AND SYNTHESIS AND USE THEREOF Zhejiang University (CN) 2014-02-05 EP claimed
EP-0985671-B1 PYRIDOCARBAZOLE DERIVATIVES HAVING cGMP-PDE INHIBITORY EFFECT MOCHIDA PHARM CO LTD (JP) 2003-04-02 EP claimed
EP-1189891-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION Bioscience AG (DE) 2002-03-27 EP claimed
US-6362342-B1 BIOSYNTHESIS; DRUG LIBRARIES LION BIOSCIENCE AG (DE) 2002-03-26 US claimed
EP-1136072-A1 PREPARATIONS FOR INTRAURETHRAL ADMINISTRATION MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2001-09-26 EP claimed
US-6197768-B1 THERAPY, PREVENTION ISCHEMIC HEART DISEASE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2001-03-06 US claimed
EP-1076649-A1 ISOQUINOLINE COMPOUND MELANOCORTIN RECEPTOR LIGANDS AND METHODS OF USING SAME TREGA BIOSCIENCES, INC. (US) 2001-02-21 EP claimed
WO-2001000594-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-01-04 WO claimed
EP-0992240-A1 THERAPEUTIC AGENT FOR ERECTION FAILURE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-04-12 EP claimed
EP-0985671-A1 PYRIDOCARBAZOLE DERIVATIVES HAVING cGMP-PDE INHIBITORY EFFECT MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-03-15 EP claimed
US-6018046-A SELECTIVE ACTION IN INHIBITING CYCLIC GMP-PHOSPHODIESTERASE (CGMP-PDE); PHARMACEUTICALS FOR TREATING DISEASES AGAINST WHICH THE INHIBITORY ACTION IS EFFECTIVE, SUCH AS PULMONARY HYPERTENSION MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-01-25 US claimed
WO-1999055679-A1 ISOQUINOLINE COMPOUND MELANOCORTIN RECEPTOR LIGANDS AND METHODS OF USING SAME TREGA BIOSCIENCES, INC. (US) 1999-11-04 WO claimed
US-20220404729-A1 TONER PARTICLES FOR DEVELOPING ELECTROSTATICALLY CHARGED IMAGE AND TONER COMPOSITION FOR DEVELOPING ELECTROSTATICALLY CHARGED IMAGE TOMOEGAWA CORPORATION (JP) 2022-12-22 US disclosed
US-20220023270-A1 ANTIBACTERIAL COMPOUNDS AND USES THEREOF THE CHILDREN'S MEDICAL CENTER CORPORATION (US) 2022-01-27 US disclosed
US-11059778-B2 Cannabinoid receptor CB2 ligand 4-(aminomethyl)-N, N-dialkylanilines UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2021-07-13 US disclosed
US-4472304-A CARCINOSTATIC NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1984-09-18 US disclosed
US-4358597-A SURFACTANTS AND FUNGICIDES; CORROSION RESISTANCE STANDARD OIL COMPANY (INDIANA) (US) 1982-11-09 US disclosed
US-4332809-A ANTIALLERGENS TANABE SEIYAKU CO., LTD. (JP) 1982-06-01 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-11059778-B2 Cannabinoid receptor CB2 ligand 4-(aminomethyl)-N, N-dialkylanilines CNR2, CNR1, GPR174 ALDH1A1 4399/4885L3MBTL1 3430/4885TSHR 1176/4885
US-20220023270-A1 ANTIBACTERIAL COMPOUNDS AND USES THEREOF CLPP, SPOUT1, MRPL21 ALDH1A1 2700/4885L3MBTL1 252/4885TSHR 4783/4885

“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.