SCHEMBL24316338

SCHEMBL24316338

Clc1ccccc1-c1c(Br)ccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.47
CYP1A2 P05177 2/20 0.47
DNMT1 P26358 1/20 0.46
CYP1A1 P04798 2/20 0.41
CYP1B1 Q16678 2/20 0.41
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
POLB P06746 1/20 0.37
HPRT1 P00492 1/20 0.37
HSD11B1 P28845 1/20 0.37
MAPT P10636 1/20 0.36
PTGES O14684 1/20 0.36
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL369327 0.82 DNMT1 (0.50) CYP2A6CYP1A2DNMT1CYP1B1ALDH1A1
SCHEMBL30125426 0.82 DNMT1 (0.50) CYP2A6CYP1A2DNMT1CYP1B1ALDH1A1
SCHEMBL10384451 0.82 DNMT1 (0.50) CYP2A6CYP1A2DNMT1CYP1B1ALDH1A1
SCHEMBL30361992 0.80 ALDH1A1 (0.55) CYP2A6CYP1A2DNMT1CYP1B1ALDH1A1
SCHEMBL1239327 0.80 ALDH1A1 (0.55) CYP2A6CYP1A2DNMT1CYP1B1ALDH1A1
SCHEMBL28769245 0.78 DNMT1 (0.50) CYP2A6CYP1A2DNMT1CYP1B1ALDH1A1
SCHEMBL26191589 0.78 CYP2A6 (0.52) CYP2A6CYP1A2ALDH1A1HSD17B10HSD11B1
SCHEMBL18174238 0.78 POLB (0.50) CYP2A6CYP1A2DNMT1ALDH1A1TSHR
SCHEMBL28162129 0.76 CYP2A6 (0.48) CYP2A6CYP1A2CYP1A1CYP1B1ALDH1A1
SCHEMBL21252665 0.76 ALDH1A1 (0.50) CYP2A6CYP1A2DNMT1CYP1B1ALDH1A1

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 178/4885CYP1A2 103/4885DNMT1 471/4885
US-20230052660-A1 NITROGEN-CONTAINING COMPOUND, AND ELECTRONIC ELEMENT AND ELECTRONIC DEVICE USING SAME NOD1, NFE2L2, NOTCH1 CYP2A6 899/4885CYP1A2 98/4885DNMT1 587/4885
US-20230200215-A1 ORGANIC COMPOUND, AND ELECTRONIC ELEMENT AND ELECTRONIC DEVICE USING SAME LEF1, OCIAD1, OR10J3 CYP2A6 504/4885CYP1A2 216/4885DNMT1 691/4885
US-11691952-B2 Nitrogen-containing compound, and electronic element and electronic device using same NOD1, NFE2L2, NOTCH1 CYP2A6 899/4885CYP1A2 98/4885DNMT1 587/4885

“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.