SCHEMBL4982011

SCHEMBL4982011

C=C1N(CCOC)c2ccccc2C1(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 1/20 0.44
MAPT P10636 8/20 0.38
ALDH1A1 P00352 4/20 0.38
GAA P10253 2/20 0.38
LMNA P02545 7/20 0.36
HTT P42858 4/20 0.36
MEN1 O00255 6/20 0.35
THRB P10828 3/20 0.35
RECQL P46063 2/20 0.35
TSHR P16473 2/20 0.35
SMN1; SMN2 Q16637 4/20 0.34
KDM4E B2RXH2 3/20 0.34
MAPK1 P28482 2/20 0.34
GPR55 Q9Y2T6 2/20 0.34
TP53 P04637 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
P2RX1 P51575 1/20 0.33
P2RX3 P56373 1/20 0.33

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
SCHEMBL19116479 0.85 KMT2A (0.42) KMT2ACYP1A2CYP2D6MAPTALDH1A1
SCHEMBL26207778 0.84 MAPT (0.38) KMT2AMAPTALDH1A1LMNAHTT
SCHEMBL13247890 0.84 KMT2A (0.41) KMT2ACYP1A2CYP2D6MAPTALDH1A1
SCHEMBL14440502 0.84 KMT2A (0.41) KMT2ACYP1A2CYP2D6MAPTALDH1A1
SCHEMBL14428040 0.82 KMT2A (0.40) KMT2ACYP1A2CYP2D6MAPTALDH1A1
SCHEMBL5573253 0.82 KMT2A (0.47) KMT2ACYP1A2CYP2D6MAPTALDH1A1
SCHEMBL30996203 0.82 CYP1A2 (0.55) KMT2ACYP1A2CYP2D6MAPTLMNA
SCHEMBL8942258 0.81 OPRM1 (0.47) KMT2ACYP1A2CYP2D6MAPTALDH1A1
SCHEMBL2180470 0.81 KMT2A (0.46) KMT2ACYP1A2CYP2D6MAPTALDH1A1
SCHEMBL9738900 0.81 KMT2A (0.46) KMT2ACYP1A2CYP2D6MAPTALDH1A1

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
CN-100501462-C Filter and cyanine compound NIPPON KAYAKU KK (JP) 2009-06-17 CN disclosed
US-20080048155-A1 Filter and Cyanine Compound NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2008-02-28 US disclosed
EP-1806605-A1 FILTER AND CYANINE COMPOUND Nippon Kayaku Kabushiki Kaisha (JP) 2007-07-11 EP disclosed
CN-1969205-A Filter and cyanine compound NIPPON KAYAKU KK (JP) 2007-05-23 CN disclosed
US-20060105257-A1 Indolenine compound, near infrared absorber, and toner containing the same NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2006-05-18 US disclosed
EP-1541556-A1 INDOLENINE COMPOUND, NEAR INFRARED ABSORBER, AND TONER CONTAINING THE SAME Nippon Kayaku Kabushiki Kaisha (JP) 2005-06-15 EP disclosed
US-5017698-A Spirooxazine photochromic compounds KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1991-05-21 US disclosed
EP-0350009-A1 Photochromic compound and photochromic composition KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1990-01-10 EP 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-20080048155-A1 Filter and Cyanine Compound IK, CRYZ, C9 KMT2A 2621/4885CYP1A2 3981/4885CYP2D6 4562/4885
US-20060105257-A1 Indolenine compound, near infrared absorber, and toner containing the same IDO1, CRY2, CRY1 KMT2A 2153/4885CYP1A2 1055/4885CYP2D6 3197/4885

“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.