SCHEMBL21787900

SCHEMBL21787900

NN(c1cc(-c2ccccc2)cc(-c2ccccc2)c1)c1ccc2sc3ccccc3c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR3 P46089 1/20 0.41
▸ MAPT P10636 4/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ CYP1A2 P05177 1/20 0.37
▸ PTPN7 P35236 1/20 0.35
▸ DUSP3 P51452 1/20 0.35
▸ PTPN12 Q05209 1/20 0.35
▸ PTPN22 Q9Y2R2 1/20 0.35
▸ TNKS O95271 1/20 0.35
▸ TNKS2 Q9H2K2 1/20 0.35
▸ PTGIR P43119 1/20 0.34
▸ LIMK1 P53667 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ PIM3 Q86V86 1/20 0.32
▸ L3MBTL1 Q9Y468 3/20 0.32
▸ TDP1 Q9NUW8 2/20 0.32
▸ POLB P06746 1/20 0.32

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
SCHEMBL21787901 0.91 GPR3 (0.44) GPR3MAPTALDH1A1RAB9AHPGD
SCHEMBL18656862 0.85 GPR3 (0.44) GPR3MAPTALDH1A1RAB9AHPGD
SCHEMBL21787760 0.84 GPR3 (0.40) GPR3MAPTALDH1A1RAB9AHPGD
SCHEMBL17126509 0.82 GPR3 (0.41) GPR3MAPTALDH1A1RAB9AHPGD
SCHEMBL17465354 0.82 GPR3 (0.44) GPR3MAPTALDH1A1RAB9AHPGD
SCHEMBL12960076 0.82 GPR3 (0.44) GPR3MAPTALDH1A1RAB9AHPGD
SCHEMBL21763379 0.82 GPR3 (0.44) GPR3MAPTALDH1A1RAB9AHPGD
SCHEMBL12960038 0.82 GPR3 (0.44) GPR3MAPTALDH1A1RAB9AHPGD
SCHEMBL21763435 0.82 ALDH1A1 (0.49) GPR3MAPTALDH1A1RAB9AHPGD
SCHEMBL12960070 0.82 GPR3 (0.44) GPR3MAPTALDH1A1RAB9AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220006020-A1 DI-, TRI- AND TETRAPHENYLINDANE DERIVATES AND THEIR USE IN ORGANIC ELECTRONICS DOTTIKON ES HOLDING AG (CH) 2022-01-06 — — US disclosed
US-20200075862-A1 INDANE DERIVATIVES AND THEIR USE IN ORGANIC ELECTRONICS DOTTIKON ES HOLDING AG (CH) 2020-03-05 — — 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 (2 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-20220006020-A1 DI-, TRI- AND TETRAPHENYLINDANE DERIVATES AND THEIR USE IN ORGANIC ELECTRONICS NR0B2, KCNJ2, TRRAP GPR3 2940/4885MAPT 2927/4885ALDH1A1 2569/4885
US-20200075862-A1 INDANE DERIVATIVES AND THEIR USE IN ORGANIC ELECTRONICS KCNJ2, KCNA2, CYP2J2 GPR3 3109/4885MAPT 3034/4885ALDH1A1 1964/4885

“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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