SCHEMBL24316337

SCHEMBL24316337

Clc1ccc2cc(-c3cc4ccccc4cc3Br)ccc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.55
GSTP1 P09211 1/20 0.44
HDAC4 P56524 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
KDM4E B2RXH2 3/20 0.37
KMT2A Q03164 2/20 0.37
CNR1 P21554 1/20 0.36
ESR2 Q92731 3/20 0.36
ESR1 P03372 2/20 0.36
DHFR P00374 1/20 0.36
KDR P35968 1/20 0.35
ALOX5 P09917 1/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 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
SCHEMBL23533674 0.87 CYP2A6 (0.45) CYP2A6KDM4EKMT2AKDRMAPT
SCHEMBL29541420 0.87 GSTP1 (0.57) CYP2A6GSTP1HDAC4HDAC2HDAC8
SCHEMBL13319520 0.87 GSTP1 (0.57) CYP2A6GSTP1HDAC4HDAC2HDAC8
SCHEMBL27295101 0.86 CYP2A6 (0.55) CYP2A6GSTP1HDAC4HDAC2HDAC8
SCHEMBL24316410 0.86 CYP2A6 (0.50) CYP2A6KDM4EKMT2AESR2ESR1
SCHEMBL19127618 0.86 CYP2A6 (0.55) CYP2A6GSTP1HDAC4HDAC2HDAC8
SCHEMBL30087150 0.86 CYP2A6 (0.55) CYP2A6GSTP1HDAC4HDAC2HDAC8
SCHEMBL21446545 0.85 CYP2A6 (0.43) CYP2A6KDM4EKMT2AMAPTALDH1A1
SCHEMBL24316339 0.84 ADORA2A (0.43) CYP2A6KDM4EKMT2ADHFRALOX5
SCHEMBL18133372 0.84 CYP2A6 (0.52) CYP2A6GSTP1HDAC4HDAC2HDAC8

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-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

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 178/4885GSTP1 3891/4885HDAC4 4311/4885
US-20230052660-A1 NITROGEN-CONTAINING COMPOUND, AND ELECTRONIC ELEMENT AND ELECTRONIC DEVICE USING SAME NOD1, NFE2L2, NOTCH1 CYP2A6 899/4885GSTP1 1687/4885HDAC4 4789/4885
US-20230200215-A1 ORGANIC COMPOUND, AND ELECTRONIC ELEMENT AND ELECTRONIC DEVICE USING SAME LEF1, OCIAD1, OR10J3 CYP2A6 504/4885GSTP1 2636/4885HDAC4 4396/4885
US-11691952-B2 Nitrogen-containing compound, and electronic element and electronic device using same NOD1, NFE2L2, NOTCH1 CYP2A6 899/4885GSTP1 1687/4885HDAC4 4789/4885

“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.