SCHEMBL18404121

SCHEMBL18404121

CC(C)(C=N)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 3/20 0.41
TAAR1 Q96RJ0 1/20 0.41
ALOX15 P16050 1/20 0.41
ESR1 P03372 2/20 0.39
ESR2 Q92731 2/20 0.39
CYP3A4 P08684 1/20 0.39
KCNN4 O15554 4/20 0.39
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 2/20 0.38
CYP2C19 P33261 1/20 0.37
HIF1A Q16665 1/20 0.37
CYP2B6 P20813 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35

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
SCHEMBL22361948 0.76 MAPK1 (0.46) MAPK1ALDH1A1TAAR1ALOX15ESR1
SCHEMBL2799509 0.75 MEN1 (0.50) MAPK1KMT2ATSHRCYP2C19HIF1A
SCHEMBL10398406 0.75 ALDH1A1 (0.43) MAPK1ALDH1A1TAAR1ALOX15ESR1
SCHEMBL27564517 0.74 MAPK1 (0.50) MAPK1ALDH1A1TAAR1ALOX15ESR1
SCHEMBL27546959 0.74 MAPK1 (0.44) MAPK1ALDH1A1TAAR1ALOX15ESR1
SCHEMBL7147954 0.74 MAPK1 (0.44) MAPK1ALDH1A1TAAR1ALOX15ESR1
SCHEMBL10012029 0.74 MAPK1 (0.44) MAPK1ALDH1A1TAAR1ALOX15ESR1
SCHEMBL9848783 0.74 ALDH1A1 (0.46) MAPK1ALDH1A1TAAR1ALOX15ESR1
SCHEMBL737574 0.74 MAPK1 (0.44) MAPK1ALDH1A1TAAR1ALOX15ESR1
SCHEMBL43182 0.74 ALDH1A1 (0.44) MAPK1ALDH1A1TAAR1ALOX15ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220037599-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2022-02-03 US disclosed
EP-3257885-A1 METHOD FOR PRODUCING FLUORINE-CONTAINING POLYMER Asahi Glass Company, Limited (JP) 2017-12-20 EP disclosed
EP-2474538-B1 CYCLIC COMPOUND, PROCESS FOR PRODUCTION OF THE CYCLIC COMPOUND, RADIATION-SENSITIVE COMPOSITION, AND METHOD FOR FORMATION OF RESIST PATTERN MITSUBISHI GAS CHEMICAL CO (JP) 2017-01-25 EP 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 (1 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-20220037599-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE L1CAM, TLL1, TLL2 MAPK1 1660/4885ALDH1A1 223/4885TAAR1 768/4885

“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.