SCHEMBL17996265

SCHEMBL17996265

CC(C)(C)c1ccc(OCCN2CCCCC2)c(F)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.73
▸ SMN1; SMN2 Q16637 3/20 0.63
▸ ALDH1A1 P00352 3/20 0.63
▸ RECQL P46063 1/20 0.62
▸ LTA4H P09960 1/20 0.56
▸ PSMB1 P20618 2/20 0.55
▸ PSMB5 P28074 2/20 0.55
▸ PSMB2 P49721 2/20 0.55
▸ HRH3 Q9Y5N1 2/20 0.53
▸ CYP1A2 P05177 2/20 0.53
▸ CYP2D6 P10635 2/20 0.53
▸ CYP2C19 P33261 2/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ ESR1 P03372 1/20 0.52
▸ ESR2 Q92731 1/20 0.52
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL10202587 0.99 KDM4E (0.75) KDM4ESMN1; SMN2ALDH1A1RECQLLTA4H
SCHEMBL17996267 0.89 KDM4E (0.61) KDM4ESMN1; SMN2ALDH1A1RECQLLTA4H
SCHEMBL20204603 0.88 KDM4E (0.71) KDM4ESMN1; SMN2ALDH1A1RECQLLTA4H
SCHEMBL15187977 0.85 KDM4E (1.00) KDM4ESMN1; SMN2ALDH1A1RECQLPSMB1
SCHEMBL10202603 0.82 KDM4E (0.75) KDM4ESMN1; SMN2ALDH1A1RECQLLTA4H
SCHEMBL270862 0.82 KDM4E (0.75) KDM4ESMN1; SMN2ALDH1A1RECQLLTA4H
SCHEMBL18010724 0.82 SMN1; SMN2 (0.74) KDM4ESMN1; SMN2ALDH1A1LTA4HCYP1A2
SCHEMBL13855799 0.80 SMN1; SMN2 (0.71) KDM4ESMN1; SMN2ALDH1A1LTA4HCYP1A2
SCHEMBL25745952 0.80 KDM4E (0.71) KDM4ESMN1; SMN2ALDH1A1RECQLLTA4H
SCHEMBL4416535 0.79 LTA4H (0.60) KDM4ESMN1; SMN2ALDH1A1LTA4HPSMB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10273242-B2 Compound inhibiting activities of BTK and/or JAK3 kinases Beijing Hanmi Pharmaceutical Co., Ltd. (CN) 2019-04-30 — — US disclosed
US-20180051036-A1 COMPOUND INHIBITING ACTIVITIES OF BTK AND/OR JAK3 KINASES Beijing Hanmi Pharmaceutical Co., Ltd. (CN) 2018-02-22 — — US disclosed
US-20180051036-A1 COMPOUND INHIBITING ACTIVITIES OF BTK AND/OR JAK3 KINASES Beijing Hanmi Pharmaceutical Co., Ltd. (CN) 2018-02-22 — — US disclosed
US-9840517-B2 Compound inhibiting activities of BTK and/or JAK3 kinases Beijing Hanmi Pharmaceutical Co., Ltd. (CN) 2017-12-12 — — US disclosed
US-20160229865-A1 COMPOUND INHIBITING ACTIVITIES OF BTK AND/OR JAK3 KINASES Beijing Hanmi Pharmaceutical Co., Ltd. (CN) 2016-08-11 — — 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-20180051036-A1 COMPOUND INHIBITING ACTIVITIES OF BTK AND/OR JAK3 KINASES BTK, JAK3, JAK2 KDM4E 1460/4885SMN1; SMN2 4340/4885ALDH1A1 4749/4885
US-20160229865-A1 COMPOUND INHIBITING ACTIVITIES OF BTK AND/OR JAK3 KINASES BTK, JAK3, JAK2 KDM4E 1460/4885SMN1; SMN2 4340/4885ALDH1A1 4749/4885
US-10273242-B2 Compound inhibiting activities of BTK and/or JAK3 kinases BTK, JAK3, JAK2 KDM4E 1460/4885SMN1; SMN2 4340/4885ALDH1A1 4749/4885

“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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