SCHEMBL20222312

SCHEMBL20222312

Ic1ccccc1Sc1ccc2ccccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP2K2 P36507 2/20 0.42
▸ MAP2K1 Q02750 2/20 0.42
▸ HAO1 Q9UJM8 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ TYMS P04818 2/20 0.40
▸ EGFR P00533 1/20 0.40
▸ PDGFRB P09619 1/20 0.40
▸ RHEB Q15382 1/20 0.39
▸ SIRT2 Q8IXJ6 1/20 0.37
▸ SIRT1 Q96EB6 1/20 0.37
▸ SIRT3 Q9NTG7 1/20 0.37
▸ G6PD P11413 1/20 0.37
▸ CCR6 P51684 1/20 0.37
▸ HKDC1 Q2TB90 1/20 0.37
▸ CYP2A6 P11509 4/20 0.35
▸ CYP1A2 P05177 3/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ HSD17B10 Q99714 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
SCHEMBL30548745 0.85 MAP2K2 (0.48) MAP2K2MAP2K1HAO1LMNASMN1; SMN2
SCHEMBL30832956 0.78 LMNA (0.57) MAP2K2MAP2K1HAO1LMNASMN1; SMN2
SCHEMBL761802 0.78 LMNA (0.57) MAP2K2MAP2K1HAO1LMNASMN1; SMN2
SCHEMBL3609852 0.76 TUBB4A (0.45) LMNASMN1; SMN2SIRT1ALDH1A1HSD17B10
SCHEMBL12952450 0.75 LMNA (0.47) MAP2K2MAP2K1HAO1LMNASMN1; SMN2
SCHEMBL8006473 0.75 MEN1 (0.33) SMN1; SMN2RHEBCYP1A2CYP3A4CYP2C9
SCHEMBL23674203 0.73 SMN1; SMN2 (0.50) HAO1LMNASMN1; SMN2RHEBCYP2A6
SCHEMBL20222310 0.73 CYP1A2 (0.46) HAO1LMNASMN1; SMN2TYMSEGFR
SCHEMBL29923079 0.73 SMN1; SMN2 (0.50) HAO1LMNASMN1; SMN2RHEBCYP2A6
SCHEMBL29923046 0.73 RHEB (0.55) LMNARHEBCYP1A2ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10693077-B2 Compound and organic electronic device using the same SHANGHAI NICHEM FINE CHEMICAL CO., LTD. (CN) 2020-06-23 — — US disclosed
US-20190092745-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME NICHEM FINE TECHNOLOGY CO., LTD. (TW) 2019-03-28 — — US disclosed
US-20180155312-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME NICHEM FINE TECHNOLOGY CO., LTD. (TW) 2018-06-07 — — US disclosed
US-20180155312-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME NICHEM FINE TECHNOLOGY CO., LTD. (TW) 2018-06-07 — — 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 (3 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-20190092745-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME SCO2, AOX1, ORC3 MAP2K2 450/4885MAP2K1 347/4885HAO1 732/4885
US-10693077-B2 Compound and organic electronic device using the same SOD1, SCO2, RCOR3 MAP2K2 942/4885MAP2K1 650/4885HAO1 1100/4885
US-20180155312-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME SOD1, SCO2, RCOR3 MAP2K2 942/4885MAP2K1 650/4885HAO1 1100/4885

“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.

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