SCHEMBL18949188

SCHEMBL18949188

CCCC(C)C(=O)c1ccncc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.55
▸ MAPT P10636 1/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ CYP1A2 P05177 4/20 0.46
▸ CYP3A4 P08684 4/20 0.46
▸ MAOA P21397 1/20 0.43
▸ MAOB P27338 1/20 0.43
▸ PTGS2 P35354 1/20 0.43
▸ HDAC3 O15379 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ NAAA Q02083 1/20 0.42
▸ NAPRT Q6XQN6 1/20 0.42
▸ CYP2D6 P10635 3/20 0.41
▸ CYP2C19 P33261 3/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MPO P05164 1/20 0.41
▸ ADORA3 P0DMS8 1/20 0.41
▸ CYP2A6 P11509 1/20 0.41
▸ KMT2A Q03164 2/20 0.41

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
SCHEMBL8226788 0.85 CYP3A4 (0.49) LMNAMAPTMAPK1CYP1A2CYP3A4
SCHEMBL1824157 0.81 PGR (0.55) LMNAMAPTMAPK1KMT2AHSD17B10
SCHEMBL17002137 0.81 PGR (0.55) LMNAMAPTMAPK1KMT2AHSD17B10
SCHEMBL18949121 0.80 L3MBTL1 (0.50) LMNACYP1A2HDAC3HDAC1HDAC2
SCHEMBL17198848 0.79 SLC6A2 (0.55) LMNAMAPTMAPK1CYP1A2CYP3A4
SCHEMBL19003444 0.78 ALDH1A1 (0.58) LMNAHDAC3HDAC1HDAC2HSD17B10
SCHEMBL19880762 0.77 SLC6A4 (0.59) LMNAMAPTMAPK1CYP1A2CYP3A4
SCHEMBL27666336 0.77 SLC6A4 (0.59) LMNAMAPTMAPK1CYP1A2CYP3A4
SCHEMBL888683 0.76 CYP1A2 (0.55) LMNAMAPK1CYP1A2CYP3A4MAOA
SCHEMBL7492485 0.75 TAS1R3 (0.58) LMNAMAPTCYP1A2CYP3A4HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10195189-B2 2-phenethenyltetrahydro isoquinolines useful as anti-HIV compounds Prosetta Antiviral, Inc. (US) 2019-02-05 — — US disclosed
US-9720140-B2 Optical film, circularly polarizing plate and organic electroluminescent display device Konica Minolta, Inc. (JP) 2017-08-01 — — US disclosed
US-9676802-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2017-06-13 — — 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 (1 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-10195189-B2 2-phenethenyltetrahydro isoquinolines useful as anti-HIV compounds MAVS, EIF2AK2, POLRMT LMNA 3070/4885MAPT 1106/4885MAPK1 3695/4885

“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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