SCHEMBL24316334

SCHEMBL24316334

Clc1cccc(-c2c(Br)ccc3ccccc23)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 7/20 0.46
CYP1B1 Q16678 6/20 0.46
CYP1A1 P04798 5/20 0.46
FADS1 O60427 1/20 0.41
NR1I3 Q14994 1/20 0.38
CYP2A6 P11509 2/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
GABRA4 P48169 1/20 0.38
GABRE P78334 1/20 0.38
GABRA6 Q16445 1/20 0.38
GABRG1 Q8N1C3 1/20 0.38

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
SCHEMBL24316332 0.81 CYP1A2 (0.41) CYP1A2CYP1B1CYP1A1CYP2A6ESR1
SCHEMBL2087364 0.80 ALOX5 (0.52) CYP1A2CYP1B1CYP1A1FADS1NR1I3
SCHEMBL30356316 0.80 CYP1A2 (0.46) CYP1A2CYP1B1CYP1A1FADS1NR1I3
SCHEMBL28996482 0.80 CYP1A2 (0.46) CYP1A2CYP1B1CYP1A1FADS1NR1I3
SCHEMBL31543984 0.80 ALDH1A1 (0.46) CYP1A2CYP1B1CYP2A6ESR1ESR2
SCHEMBL18320175 0.80 ALDH1A1 (0.46) CYP1A2CYP1B1CYP2A6ESR1ESR2
SCHEMBL29316376 0.78 DNMT1 (0.40) CYP1A2CYP2A6KDM4ETP53TSHR
SCHEMBL29637485 0.77 HPRT1 (0.46) CYP1A2CYP1B1CYP1A1CYP2A6TSHR
SCHEMBL29069324 0.77 ALOX5 (0.41) ESR2NPC1TP53TSHRNFKB1
SCHEMBL24316389 0.77 CYP1A2 (0.50) CYP1A2CYP1B1CYP1A1FADS1NR1I3

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 CYP1A2 103/4885CYP1B1 575/4885CYP1A1 306/4885
US-20230052660-A1 NITROGEN-CONTAINING COMPOUND, AND ELECTRONIC ELEMENT AND ELECTRONIC DEVICE USING SAME NOD1, NFE2L2, NOTCH1 CYP1A2 98/4885CYP1B1 53/4885CYP1A1 49/4885
US-20230200215-A1 ORGANIC COMPOUND, AND ELECTRONIC ELEMENT AND ELECTRONIC DEVICE USING SAME LEF1, OCIAD1, OR10J3 CYP1A2 216/4885CYP1B1 152/4885CYP1A1 98/4885
US-11691952-B2 Nitrogen-containing compound, and electronic element and electronic device using same NOD1, NFE2L2, NOTCH1 CYP1A2 98/4885CYP1B1 53/4885CYP1A1 49/4885

“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.