SCHEMBL24316410

SCHEMBL24316410

Clc1ccc2cc(-c3ccccc3)c(Br)cc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.50
KMT2A Q03164 4/20 0.47
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 3/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
CYP19A1 P11511 1/20 0.41
RAB9A P51151 1/20 0.41
MAPK1 P28482 3/20 0.41
CYP1A2 P05177 1/20 0.39
AURKA O14965 1/20 0.38
AURKB Q96GD4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
PIK3R1 P27986 1/20 0.38
PIK3CA P42336 1/20 0.38
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36

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
SCHEMBL21446545 0.89 CYP2A6 (0.43) CYP2A6KMT2AKDM4EALDH1A1MAPT
SCHEMBL24316337 0.86 CYP2A6 (0.55) CYP2A6KMT2AKDM4EALDH1A1MEN1
SCHEMBL12313194 0.84 ALDH1A1 (0.54) CYP2A6KMT2AKDM4EALDH1A1MEN1
SCHEMBL12313190 0.84 ALDH1A1 (0.54) CYP2A6KMT2AKDM4EALDH1A1MEN1
SCHEMBL23533674 0.83 CYP2A6 (0.45) CYP2A6KMT2AKDM4EALDH1A1MEN1
SCHEMBL13319097 0.82 ALDH1A1 (0.52) CYP2A6KMT2AKDM4EALDH1A1MEN1
SCHEMBL31543985 0.82 ALDH1A1 (0.52) CYP2A6KMT2AKDM4EALDH1A1MEN1
SCHEMBL26668634 0.81 CYP2A6 (0.44) CYP2A6KMT2AKDM4EALDH1A1MEN1
SCHEMBL24316339 0.80 ADORA2A (0.43) CYP2A6KMT2AKDM4EALDH1A1MEN1
SCHEMBL8638226 0.79 ALDH1A1 (0.54) CYP2A6KMT2AKDM4EALDH1A1MEN1

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-11800792-B2 Organic compound with spirocyclic adamantane, and electronic element and electronic device using same SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-10-24 US disclosed
US-11800792-B2 Organic compound with spirocyclic adamantane, and electronic element and electronic device using same SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-10-24 US disclosed
US-11691952-B2 Nitrogen-containing compound, and electronic element and electronic device using same SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-07-04 US disclosed
US-11691952-B2 Nitrogen-containing compound, and electronic element and electronic device using same SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-07-04 US disclosed
US-20230200215-A1 ORGANIC COMPOUND, AND ELECTRONIC ELEMENT AND ELECTRONIC DEVICE USING SAME SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-06-22 US disclosed
US-20230200215-A1 ORGANIC COMPOUND, AND ELECTRONIC ELEMENT AND ELECTRONIC DEVICE USING SAME SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-06-22 US disclosed
US-20230052660-A1 NITROGEN-CONTAINING COMPOUND, AND ELECTRONIC ELEMENT AND ELECTRONIC DEVICE USING SAME SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-02-16 US disclosed
WO-2022068292-A1 ORGANIC COMPOUND, AND ELECTRONIC ELEMENT AND ELECTRONIC DEVICE USING SAME 陕西莱特光电材料股份有限公司 2022-04-07 WO disclosed
US-9585884-B2 Pyrimidinone inhibitors of lipoprotein-associated phospholipase A2 AUSPEX PHARMACEUTICALS, INC. (US) 2017-03-07 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 (4 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-11800792-B2 Organic compound with spirocyclic adamantane, and electronic element and electronic device using same OR51E2, SQLE, ODC1 CYP2A6 178/4885KMT2A 3429/4885KDM4E 3224/4885
US-20230052660-A1 NITROGEN-CONTAINING COMPOUND, AND ELECTRONIC ELEMENT AND ELECTRONIC DEVICE USING SAME NOD1, NFE2L2, NOTCH1 CYP2A6 899/4885KMT2A 1223/4885KDM4E 837/4885
US-20230200215-A1 ORGANIC COMPOUND, AND ELECTRONIC ELEMENT AND ELECTRONIC DEVICE USING SAME LEF1, OCIAD1, OR10J3 CYP2A6 504/4885KMT2A 1598/4885KDM4E 782/4885
US-11691952-B2 Nitrogen-containing compound, and electronic element and electronic device using same NOD1, NFE2L2, NOTCH1 CYP2A6 899/4885KMT2A 1223/4885KDM4E 837/4885

“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.